Standard Article

Decacarbonyldirhenium

  1. Peter L. Pauson1,
  2. Yoichiro Kuninobu2

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rd002.pub2

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Pauson, P. L. and Kuninobu, Y. 2013. Decacarbonyldirhenium. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. 1

    University of Strathclyde, Glasgow, UK

  2. 2

    The University of Tokyo, Japan

Publication History

  1. Published Online: 16 SEP 2013

Featured Compounds

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  1. 1 - 161
Compound Information
Drug synonym:Not Available
Molecular Weight:652.515
Molecular Formula:C10O10Re2
SMILES:[Re][Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:94.1543
Molecular Formula:C7H10
SMILES:[H]C1=C([H])C([H])=C([H])CCC1
InChI:1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChIKey:GWYPDXLJACEENP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:363.384
Molecular Formula:C10H9O3Re
SMILES:[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH]CC[CH][CH]1
InChI:1S/C7H14.3CO.Re/c1-2-4-6-7-5-3-1;3*1-2;/h1-7H2;;;;
InChIKey:OSPYJZQBLGSGDD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:406.162
Molecular Formula:C5BrO5Re
SMILES:Br[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChI:1S/5CO.BrH.Re/c5*1-2;;/h;;;;;1H;/q;;;;;;+1/p-1
InChIKey:NWJBOTGGBYFKEJ-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:72.034
Molecular Formula:C5H5Li
SMILES:[Li]C1C=CC=C1
InChI:1S/C5H5.Li/c1-2-4-5-3-1;/h1-5H;
InChIKey:JTVVTAXHEPEOQP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:335.331
Molecular Formula:C8H5O3Re
SMILES:[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1
InChI:1S/C5H10.3CO.Re/c1-2-4-5-3-1;3*1-2;/h1-5H2;;;;
InChIKey:DCRQREXKEAQUKI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:142.167
Molecular Formula:C10H15Li
SMILES:[Li]C1(C)C(C)=C(C)C(C)=C1C
InChI:1S/C10H15.Li/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;
InChIKey:QEKDVHNXEFFHLF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:405.463
Molecular Formula:C13H15O3Re
SMILES:[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].C[C]1[C](C)[C](C)[C](C)[C]1C
InChI:1S/C10H20.3CO.Re/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h6-10H,1-5H3;;;;
InChIKey:CPOGPYSYYJLIMU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.083
Molecular Formula:C5H5Na
SMILES:[Na]C1C=CC=C1
InChI:1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H;
InChIKey:PDTZVKVFAJGNRV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:104.1915
Molecular Formula:C5H5K
SMILES:[K]C1C=CC=C1
InChI:1S/C5H5.K/c1-2-4-5-3-1;/h1-5H;
InChIKey:PASBBOPDQSUFPA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:271.4924
Molecular Formula:C5H5Tl
SMILES:[TlH2]C1C=CC=C1
InChI:1S/C5H5.Tl/c1-2-4-5-3-1;/h1-5H;
InChIKey:RKLJDPOVAWGBSD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:158.2159
Molecular Formula:C10H15Na
SMILES:CC1=C(C)C(C)([Na])C(C)=C1C
InChI:1S/C10H15.Na/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;
InChIKey:NWRNNTRBUPLTKV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.3244
Molecular Formula:C10H15K
SMILES:CC1=C(C)C(C)([K])C(C)=C1C
InChI:1S/C10H15.K/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;
InChIKey:XJLFQRRHDGCZLZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:341.6253
Molecular Formula:C10H15Tl
SMILES:CC1=C(C)C(C)([TlH2])C(C)=C1C
InChI:1S/C10H15.Tl/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;
InChIKey:VKJRREONMKLHFP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:357.16
Molecular Formula:C17H34Sn
SMILES:CCCC[Sn](CCCC)(CCCC)C\C=C\C=C
InChI:1S/C5H7.3C4H9.Sn/c1-3-5-4-2;3*1-3-4-2;/h3-5H,1-2H2;3*1,3-4H2,2H3;/b5-3+;;;;
InChIKey:GKUYGTNZSXSFBZ-WPRNHGRKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:337.346
Molecular Formula:C8H7O3Re
SMILES:[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2][CH][CH][CH][CH2]
InChI:1S/C5H12.3CO.Re/c1-3-5-4-2;3*1-2;/h3-5H2,1-2H3;;;;
InChIKey:OLJSNNPQFMGBKV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:361.711
Molecular Formula:C5ClO5Re
SMILES:Cl[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChI:1S/5CO.ClH.Re/c5*1-2;;/h;;;;;1H;/q;;;;;;+1/p-1
InChIKey:JQUUAHKBIXPQAP-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:108.1809
Molecular Formula:C8H12
SMILES:C1C\C=C/CC\C=C/1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:133.341
Molecular Formula:AlCl3
SMILES:Cl[Al](Cl)Cl
InChI:1S/Al.3ClH/h;3*1H/q+3;;;/p-3
InChIKey:VSCWAEJMTAWNJL-UHFFFAOYSA-K
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Compound Information
Drug synonym:Not Available
Molecular Weight:575.222
Molecular Formula:C12H12AlCl4O4Re
SMILES:[Re+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Al-](Cl)(Cl)Cl.C1C\C=C/CC\C=C/1
InChI:1S/C8H12.4CO.Al.4ClH.Re/c1-2-4-6-8-7-5-3-1;4*1-2;;;;;;/h1-2,7-8H,3-6H2;;;;;;4*1H;/q;;;;;+3;;;;;+1/p-4/b2-1-,8-7-;;;;;;;;;;
InChIKey:CPOIXVRECOIAHN-XDFRFORTSA-J
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Compound Information
Drug synonym:Not Available
Molecular Weight:84.1595
Molecular Formula:C6H12
SMILES:C1CCCCC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:carbon tetrachloride, Carbona, pyrene
Molecular Weight:153.823
Molecular Formula:CCl4
SMILES:ClC(Cl)(Cl)Cl
InChI:1S/CCl4/c2-1(3,4)5
InChIKey:VZGDMQKNWNREIO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:118.605
Molecular Formula:C6H11Cl
SMILES:ClC1CCCCC1
InChI:1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey:UNFUYWDGSFDHCW-UHFFFAOYSA-N
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Compound Information
Drug synonym:trichloromethane
Molecular Weight:119.378
Molecular Formula:CHCl3
SMILES:ClC(Cl)Cl
InChI:1S/CHCl3/c2-1(3)4/h1H
InChIKey:HEDRZPFGACZZDS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:209.929
Molecular Formula:C5H8Cl4
SMILES:ClCCC(Cl)(Cl)CCCl
InChI:1S/C5H8Cl4/c6-3-1-5(8,9)2-4-7/h1-4H2
InChIKey:AVFZURCSBSQCSO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:116.2767
Molecular Formula:C6H16Si
SMILES:CC[SiH](CC)CC
InChI:1S/C6H16Si/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
InChIKey:AQRLNPVMDITEJU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.722
Molecular Formula:C6H15ClSi
SMILES:CC[Si](Cl)(CC)CC
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:175.484
Molecular Formula:C5H9Cl3
SMILES:ClCCC(Cl)CCCl
InChI:1S/C5H9Cl3/c6-3-1-5(8)2-4-7/h5H,1-4H2
InChIKey:CRHPYMKSJMSTMT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.2343
Molecular Formula:C5H12Si
SMILES:C[Si](C)(C)C=C
InChI:1S/C5H12Si/c1-5-6(2,3)4/h5H,1H2,2-4H3
InChIKey:GCSJLQSCSDMKTP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:177.414
Molecular Formula:C3H3Cl3O2
SMILES:COC(=O)C(Cl)(Cl)Cl
InChI:1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3
InChIKey:VHFUHRXYRYWELT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:277.648
Molecular Formula:C8H15Cl3O2Si
SMILES:COC(=O)C(Cl)(Cl)CC(Cl)[Si](C)(C)C
InChI:1S/C8H15Cl3O2Si/c1-13-7(12)8(10,11)5-6(9)14(2,3)4/h6H,5H2,1-4H3
InChIKey:GTUVRPBAPGNRBR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:53.0626
Molecular Formula:C3H3N
SMILES:C=CC#N
InChI:1S/C3H3N/c1-2-3-4/h2H,1H2
InChIKey:NLHHRLWOUZZQLW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:90.187
Molecular Formula:C4H10S
SMILES:CCCCS
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:143.25
Molecular Formula:C7H13NS
SMILES:CCCCSCCC#N
InChI:1S/C7H13NS/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3
InChIKey:KEFNDTNKGPJECK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:84.1595
Molecular Formula:C6H12
SMILES:CCCCC=C
InChI:1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
InChIKey:LIKMAJRDDDTEIG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:680.654
Molecular Formula:C14H11O8Re2
SMILES:[H-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].CCCC\C=C\[Re][Re]
InChI:1S/C6H11.8CO.2Re.H/c1-3-5-6-4-2;8*1-2;;;/h1,3H,4-6H2,2H3;;;;;;;;;;;/q;;;;;;;;;;;-1
InChIKey:WZNVIXADABMBHZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:83.1317
Molecular Formula:C5H9N
SMILES:CC#CN(C)C
InChI:1S/C5H9N/c1-4-5-6(2)3/h1-3H3
InChIKey:LDYUIVOAQFHBIO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:679.626
Molecular Formula:C13H9NO8Re2
SMILES:[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].CN(C)C1=[Re]2[Re]C12C
InChI:1S/C5H9N.8CO.2Re/c1-4-5-6(2)3;8*1-2;;/h1-3H3;;;;;;;;;;
InChIKey:DTFFTAPRDYHHOB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:762.758
Molecular Formula:C18H18N2O8Re2
SMILES:[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].CN(C)C1=C(C)[Re]([Re])C(C)=C1N(C)C
InChI:1S/C10H18N2.8CO.2Re/c1-7-9(11(3)4)10(8-2)12(5)6;8*1-2;;/h1-6H3;;;;;;;;;;
InChIKey:SSILYYVCJMUPAC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:349.247
Molecular Formula:C5NaO5Re
SMILES:[Na][Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChI:1S/5CO.Na.Re/c5*1-2;;
InChIKey:DUIMSHBNPMKQOO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:124.964
Molecular Formula:C2H5BrO
SMILES:OCCBr
InChI:1S/C2H5BrO/c3-1-2-4/h4H,1-2H2
InChIKey:LDLCZOVUSADOIV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:44.0526
Molecular Formula:C2H4O
SMILES:C1CO1
InChI:1S/C2H4O/c1-2-3-1/h1-2H2
InChIKey:IAYPIBMASNFSPL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:450.214
Molecular Formula:C7H4BrO6Re
SMILES:[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].Br[Re]=C1OCCO1
InChI:1S/C3H4O2.4CO.BrH.Re/c1-2-5-3-4-1;4*1-2;;/h1-2H2;;;;;1H;/q;;;;;;+1/p-1
InChIKey:NACXHKRIXGWXTM-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:21.976
Molecular Formula:CH3Li
SMILES:[Li]C
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:357.306
Molecular Formula:C9H8LiO3Re
SMILES:[Li+].[C-]#[O+].[C-]#[O+].CC([O-])=[Re].[CH]1[CH][CH][CH][CH]1
InChI:1S/C5H10.C2H3O.2CO.Li.Re/c1-2-4-5-3-1;1-2-3;2*1-2;;/h1-5H2;1H3;;;;/q;-1;;;+1;
InChIKey:CGVGEYKAEYSJTM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:351.373
Molecular Formula:C9H9O3Re
SMILES:[C-]#[O+].[C-]#[O+].CC(O)=[Re].[CH]1[CH][CH][CH][CH]1
InChI:1S/C5H10.C2H4O.2CO.Re/c1-2-4-5-3-1;1-2-3;2*1-2;/h1-5H2;3H,1H3;;;
InChIKey:HUZHIHZRKNFTIV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:42.04
Molecular Formula:CH2N2
SMILES:C=[N+]=[N-]
InChI:1S/CH2N2/c1-3-2/h1H2
InChIKey:YXHKONLOYHBTNS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:365.4
Molecular Formula:C10H11O3Re
SMILES:[C-]#[O+].[C-]#[O+].COC(C)=[Re].[CH]1[CH][CH][CH][CH]1
InChI:1S/C5H10.C3H6O.2CO.Re/c1-2-4-5-3-1;1-3-4-2;2*1-2;/h1-5H2;1-2H3;;;
InChIKey:DFBOMSRUEYFARB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:141.939
Molecular Formula:CH3I
SMILES:CI
InChI:1S/CH3I/c1-2/h1H3
InChIKey:INQOMBQAUSQDDS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:365.4
Molecular Formula:C10H11O3Re
SMILES:[C-]#[O+].[C-]#[O+].C[Re]C(C)=O.[CH]1[CH][CH][CH][CH]1
InChI:1S/C5H10.C2H3O.2CO.CH3.Re/c1-2-4-5-3-1;1-2-3;2*1-2;;/h1-5H2;1H3;;;1H3;
InChIKey:SIUHQXBZBYTECB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:86.0892
Molecular Formula:C4H6O2
SMILES:CC(=O)C(C)=O
InChI:1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChIKey:QSJXEFYPDANLFS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:611.709
Molecular Formula:C28H28NOPRe
SMILES:[Re+]N=O.[CH]1[CH][CH][CH][CH]1.C1CC=CC1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P.C5H10.C5H8.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;1-2;/h1-15H;1-5H2;1-2H,3-5H2;;/q;;;-1;+2
InChIKey:ZICLYAKWKWPSNJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:610.701
Molecular Formula:C28H27NOPRe
SMILES:[CH]1[CH][CH][CH][CH]1.O=N[Re]C1=CCCC1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P.C5H10.C5H7.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;1-2;/h1-15H;1-5H2;1H,2,4-5H2;;/q;;;-1;+1
InChIKey:BTNAKHNZWRWRLN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.212
Molecular Formula:C4H9KO
SMILES:[K+].CC(C)(C)[O-]
InChI:1S/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKey:LPNYRYFBWFDTMA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:698.513
Molecular Formula:C28H28BF4NOPRe
SMILES:F[B-](F)(F)F.[CH]1[CH][CH][CH][CH]1.O=N[Re+]=C1CCCC1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P.C5H10.C5H8.BF4.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;2-1(3,4)5;1-2;/h1-15H;1-5H2;1-4H2;;;/q;;;2*-1;+2
InChIKey:MVYSIDOQPKQHMR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:87.813
Molecular Formula:BF4H
SMILES:[H+].F[B-](F)(F)F
InChI:1S/BF4/c2-1(3,4)5/q-1/p+1
InChIKey:ODGCEQLVLXJUCC-UHFFFAOYSA-O
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Compound Information
Drug synonym:Not Available
Molecular Weight:571.602
Molecular Formula:C24H20NO2PRe
SMILES:[C-]#[O+].[Re+]N=O.[CH]1[CH][CH][CH][CH]1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P.C5H10.CO.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;2*1-2;/h1-15H;1-5H2;;;/q;;;-1;+2
InChIKey:HUSHQOCNEKMHJV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:558.626
Molecular Formula:C24H23NOPRe
SMILES:C[Re]N=O.[CH]1[CH][CH][CH][CH]1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P.C5H10.CH3.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;1-2;/h1-15H;1-5H2;1H3;;/q;;;-1;+1
InChIKey:NLXXPFWAHXJNST-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:702.583
Molecular Formula:C24H22F6NOP2Re
SMILES:C=[Re+]N=O.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P.C5H10.CH2.F6P.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;1-7(2,3,4,5)6;1-2;/h1-15H;1-5H2;1H2;;;/q;;;2*-1;+2
InChIKey:HSDYTXCSXSDVOX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:388.2866
Molecular Formula:C19H15F6P
SMILES:F[P-](F)(F)(F)(F)F.C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C19H15.F6P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2,3,4,5)6/h1-15H;/q+1;-1
InChIKey:IBTFOFOFRZKIJU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:282.139
Molecular Formula:C2F6O5S2
SMILES:FC(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F
InChI:1S/C2F6O5S2/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8
InChIKey:WJKHJLXJJJATHN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:methylene chloride, methylene dichloride
Molecular Weight:84.933
Molecular Formula:CH2Cl2
SMILES:ClCCl
InChI:1S/CH2Cl2/c2-1-3/h1H2
InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:773.489
Molecular Formula:C24H22Cl2F6NOP2Re
SMILES:ClCCl.[Re+]N=O.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P.C5H10.CH2Cl2.F6P.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;2-1-3;1-7(2,3,4,5)6;1-2;/h1-15H;1-5H2;1H2;;;/q;;;2*-1;+2
InChIKey:CXWDKATYVMTFEI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:16.0425
Molecular Formula:CH4
SMILES:[H]C([H])([H])[H]
InChI:1S/CH4/h1H4
InChIKey:VNWKTOKETHGBQD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.557
Molecular Formula:C6H5Cl
SMILES:ClC1=CC=CC=C1
InChI:1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKey:MVPPADPHJFYWMZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:801.113
Molecular Formula:C29H25ClF6NOP2Re
SMILES:[Re+]N=O.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.ClC1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P.C6H5Cl.C5H10.F6P.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-7(2,3,4,5)6;1-2;/h1-15H;1-5H;1-5H2;;;/q;;;2*-1;+2
InChIKey:DFKGYROTLVAKQL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:628.524
Molecular Formula:C24H22Cl2NOPRe
SMILES:ClCCl.[Re+]N=O.[CH]1[CH][CH][CH][CH]1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P.C5H10.CH2Cl2.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;2-1-3;1-2;/h1-15H;1-5H2;1H2;;/q;;;-1;+2
InChIKey:CBTSLUUQIYKUHK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:222.26
Molecular Formula:C12H28BK
SMILES:[K+].CCC(C)[BH-](C(C)CC)C(C)CC
InChI:1S/C12H28B.K/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-13H,7-9H2,1-6H3;/q-1;+1
InChIKey:NHEDTYWJTOUTDG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:42.0797
Molecular Formula:C3H6
SMILES:CC=C
InChI:1S/C3H6/c1-3-2/h3H,1H2,2H3
InChIKey:QQONPFPTGQHPMA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:419.533
Molecular Formula:C15H21O2Re
SMILES:[Re].[C-]#[O+].[C-]#[O+].CC=C.C[C]1[C](C)[C](C)[C](C)[C]1C
InChI:1S/C10H20.C3H6.2CO.Re/c1-6-7(2)9(4)10(5)8(6)3;1-3-2;2*1-2;/h6-10H,1-5H3;3H,1H2,2H3;;;
InChIKey:PONRNYHRGXSEDQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:330.127
Molecular Formula:C19H15BF4
SMILES:F[B-](F)(F)F.C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C19H15.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1-15H;/q+1;-1
InChIKey:VQXBOEYKSVVPSP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:418.525
Molecular Formula:C15H20O2Re
SMILES:[Re+].[C-]#[O+].[C-]#[O+].[CH2][CH][CH2].C[C]1[C](C)[C](C)[C](C)[C]1C
InChI:1S/C10H20.C3H8.2CO.Re/c1-6-7(2)9(4)10(5)8(6)3;1-3-2;2*1-2;/h6-10H,1-5H3;3H2,1-2H3;;;/q;;;;+1
InChIKey:ZXYKRVULNKVQEK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.556
Molecular Formula:C2H6CuLi
SMILES:[Li][Cu](C)[CH3:11]
InChI:1S/2CH3.Cu.Li/h2*1H3;;
InChIKey:LQCYIQBYFCQMCH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:433.56
Molecular Formula:C16H23O2Re
SMILES:[Re].[C-]#[O+].[C-]#[O+].CCC=C.C[C]1[C](C)[C](C)[C](C)[C]1C
InChI:1S/C10H20.C4H8.2CO.Re/c1-6-7(2)9(4)10(5)8(6)3;1-3-4-2;2*1-2;/h6-10H,1-5H3;3H,1,4H2,2H3;;;
InChIKey:GRDVUDDXOKDHIL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:369.431
Molecular Formula:C10H15O3Re
SMILES:O=[Re](=O)=O.C[C]1[C](C)[C](C)[C](C)[C]1C
InChI:1S/C10H20.3O.Re/c1-6-7(2)9(4)10(5)8(6)3;;;;/h6-10H,1-5H3;;;;
InChIKey:HOUAWVFQCIYZLR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:262.2855
Molecular Formula:C18H15P
SMILES:C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey:RIOQSEWOXXDEQQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:603.252
Molecular Formula:C11H15I2ORe
SMILES:[Re].II.[C-]#[O+].C[C]1[C](C)[C](C)[C](C)[C]1C
InChI:1S/C10H20.CO.I2.Re/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h6-10H,1-5H3;;;
InChIKey:VFHGIOKKYPTUTB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:253.80894
Molecular Formula:I2
SMILES:II
InChI:1S/I2/c1-2
InChIKey:PNDPGZBMCMUPRI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:640.437
Molecular Formula:C22H15BrO4PRe
SMILES:Br[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P.4CO.BrH.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;;/h1-15H;;;;;1H;/q;;;;;;+1/p-1
InChIKey:WRGYPTLEXFQJGU-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:218.148
Molecular Formula:C16H12Li2
SMILES:[Li]\C(=C/C=C(\[Li])C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C16H12.2Li/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;;/h1-12H;;
InChIKey:ZKVBYGQNEDENHX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:503.522
Molecular Formula:C20H13O4Re
SMILES:[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].O[C]1[C]([CH][CH][C]1C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C17H18O.3CO.Re/c18-17-15(13-7-3-1-4-8-13)11-12-16(17)14-9-5-2-6-10-14;3*1-2;/h1-10,15-18H,11-12H2;;;;
InChIKey:UAUOFBKJCCMLEW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:176.2118
Molecular Formula:C11H12O2
SMILES:Cc1ccccc1C(=O)OCC=C
InChI:1S/C11H12O2/c1-3-8-13-11(12)10-7-5-4-6-9(10)2/h3-7H,1,8H2,2H3
InChIKey:XPJPVFJXGSSVIV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1158
Molecular Formula:C5H8O2
SMILES:CC(=O)OCC=C
InChI:1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
InChIKey:FWZUNOYOVVKUNF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:176.2118
Molecular Formula:C11H12O2
SMILES:Cc1cccc(CC=C)c1C(O)=O
InChI:1S/C11H12O2/c1-3-5-9-7-4-6-8(2)10(9)11(12)13/h3-4,6-7H,1,5H2,2H3,(H,12,13)
InChIKey:OKUVUSOLANIQKY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.959
Molecular Formula:C2H4Cl2
SMILES:ClCCCl
InChI:1S/C2H4Cl2/c3-1-2-4/h1-2H2
InChIKey:WSLDOOZREJYCGB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.1424
Molecular Formula:C6H10O2
SMILES:CC(C(C)=O)C(C)=O
InChI:1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3
InChIKey:GSOHKPVFCOWKPU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:167.271
Molecular Formula:C9H13NS
SMILES:CC(C)(C)\N=C\c1ccsc1
InChI:1S/C9H13NS/c1-9(2,3)10-6-8-4-5-11-7-8/h4-7H,1-3H3/b10-6+
InChIKey:HQBRGEPPNHKUKU-UXBLZVDNSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1158
Molecular Formula:C5H8O2
SMILES:CCOC(=O)C=C
InChI:1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
InChIKey:JIGUQPWFLRLWPJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:212.265
Molecular Formula:C10H12O3S
SMILES:CCOC(=O)CCc1sccc1C=O
InChI:1S/C10H12O3S/c1-2-13-10(12)4-3-9-8(7-11)5-6-14-9/h5-7H,2-4H2,1H3
InChIKey:AKQWBPCVDDFRIL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:92.1384
Molecular Formula:C7H8
SMILES:CC1=CC=CC=C1
InChI:1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey:YXFVVABEGXRONW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:18.0153
Molecular Formula:H2O
SMILES:[H]O[H]
InChI:1S/H2O/h1H2
InChIKey:XLYOFNOQVPJJNP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:199.2915
Molecular Formula:C14H17N
SMILES:C\C(=N/c1ccccc1)C1=CCCCC1
InChI:1S/C14H17N/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h3,6-8,10-11H,2,4-5,9H2,1H3/b15-12+
InChIKey:BLDVYDQUEUIRJK-NTCAYCPXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:184.2753
Molecular Formula:C11H20O2
SMILES:CCCCC(CC)COC(=O)C=C
InChI:1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3
InChIKey:GOXQRTZXKQZDDN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:290.4403
Molecular Formula:C19H30O2
SMILES:CCCCC(CC)COC(=O)C1=C(C)C2=C(C1)CCCC2
InChI:1S/C19H30O2/c1-4-6-9-15(5-2)13-21-19(20)18-12-16-10-7-8-11-17(16)14(18)3/h15H,4-13H2,1-3H3
InChIKey:MZXOWEHUIYXHMH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:545.643
Molecular Formula:C21H27O5Re
SMILES:[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].CCCCC(CC)COC(=O)[C]1[CH][C]2CCCC[C]2[CH]1
InChI:1S/C18H32O2.3CO.Re/c1-3-5-8-14(4-2)13-20-18(19)17-11-15-9-6-7-10-16(15)12-17;3*1-2;/h14-17H,3-13H2,1-2H3;;;;
InChIKey:MGCCJURKTMIZKJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:benzenol, carbolic acid, hydroxybenzene, phenylic acid
Molecular Weight:94.1112
Molecular Formula:C6H6O
SMILES:[H]C1=CC=C(O)C=C1
InChI:1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.2126
Molecular Formula:C8H16
SMILES:CCCCCCC=C
InChI:1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InChIKey:KWKAKUADMBZCLK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:206.3239
Molecular Formula:C14H22O
SMILES:CCCCCCC(C)c1ccccc1O
InChI:1S/C14H22O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h7-8,10-12,15H,3-6,9H2,1-2H3
InChIKey:YENLEHMSMBFUTB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.2499
Molecular Formula:C10H18
SMILES:CCCCC\C=C\C(C)=C
InChI:1S/C10H18/c1-4-5-6-7-8-9-10(2)3/h8-9H,2,4-7H2,1,3H3/b9-8+
InChIKey:OQMUULZXRYEDBQ-CMDGGOBGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:232.3612
Molecular Formula:C16H24O
SMILES:CCCCCC(C=C(C)C)c1ccc(O)cc1
InChI:1S/C16H24O/c1-4-5-6-7-15(12-13(2)3)14-8-10-16(17)11-9-14/h8-12,15,17H,4-7H2,1-3H3
InChIKey:VIKQDCYCHDJJPK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:144.213
Molecular Formula:C11H12
SMILES:C=C=CCCC1=CC=CC=C1
InChI:1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h3-4,6-7,9-10H,1,5,8H2
InChIKey:UQFBTHBETMAYBM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:258.3554
Molecular Formula:C17H22O2
SMILES:CC(=O)C(CCc1ccccc1)C(\C)=C(/C)C(C)=O
InChI:1S/C17H22O2/c1-12(14(3)18)13(2)17(15(4)19)11-10-16-8-6-5-7-9-16/h5-9,17H,10-11H2,1-4H3/b13-12+
InChIKey:BWNLRMNOSNPFMJ-OUKQBFOZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:260.308
Molecular Formula:C14H12O3S
SMILES:O=C(CS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C14H12O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey:DREVPGKOIZVPQV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:116.1598
Molecular Formula:C9H8
SMILES:CC1=CC=C(C=C1)C#C
InChI:1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChIKey:KSZVOXHGCKKOLL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:376.468
Molecular Formula:C23H20O3S
SMILES:Cc1ccc(cc1)C(\CS(=O)(=O)c1ccccc1)=C\C(=O)c1ccccc1
InChI:1S/C23H20O3S/c1-18-12-14-19(15-13-18)21(16-23(24)20-8-4-2-5-9-20)17-27(25,26)22-10-6-3-7-11-22/h2-16H,17H2,1H3/b21-16+
InChIKey:PTLKLEFFHZOSGW-LTGZKZEYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:182.1733
Molecular Formula:C9H10O4
SMILES:COC(=O)C1(CC1=C=C)C(=O)OC
InChI:1S/C9H10O4/c1-4-6-5-9(6,7(10)12-2)8(11)13-3/h1,5H2,2-3H3
InChIKey:WBPJMVCTGWRMCT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:168.1467
Molecular Formula:C8H8O4
SMILES:COC(=O)c1ccc(C)oc1=O
InChI:1S/C8H8O4/c1-5-3-4-6(7(9)11-2)8(10)12-5/h3-4H,1-2H3
InChIKey:JBILHWKEZJRNLB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:18.0153
Molecular Formula:H2O
SMILES:[H]O[H]
InChI:1S/H2O/h1H2
InChIKey:XLYOFNOQVPJJNP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:147.002
Molecular Formula:C6H4Cl2
SMILES:ClC1=C(Cl)C=CC=C1
InChI:1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey:RFFLAFLAYFXFSW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:85.1045
Molecular Formula:C4H7NO
SMILES:O=C1CCCN1
InChI:1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKey:HNJBEVLQSNELDL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:96.1702
Molecular Formula:C7H12
SMILES:CCCCCC#C
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:181.2747
Molecular Formula:C11H19NO
SMILES:CCCCC\C=C\N1CCCC1=O
InChI:1S/C11H19NO/c1-2-3-4-5-6-9-12-10-7-8-11(12)13/h6,9H,2-5,7-8,10H2,1H3/b9-6+
InChIKey:UMEYVEUACVDOOE-RMKNXTFCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:86.1323
Molecular Formula:C5H10O
SMILES:CCC(=O)CC
InChI:1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
InChIKey:FDPIMTJIUBPUKL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:106.1219
Molecular Formula:C7H6O
SMILES:[H]C(=O)C1=CC=CC=C1
InChI:1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey:HUMNYLRZRPPJDN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:262.3456
Molecular Formula:C19H18O
SMILES:CC1C(C(=C(C)C1=O)c1ccccc1)c1ccccc1
InChI:1S/C19H18O/c1-13-17(15-9-5-3-6-10-15)18(14(2)19(13)20)16-11-7-4-8-12-16/h3-13,17H,1-2H3
InChIKey:FPMNYEMWMGKIKG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:144.1684
Molecular Formula:C7H12O3
SMILES:CCOC(=O)C(C)C(C)=O
InChI:1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3
InChIKey:FNENWZWNOPCZGK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:288.3814
Molecular Formula:C18H24O3
SMILES:CCOC(=O)[C@@]1(C)C(C)=C[C@@H](Cc2ccccc2)[C@@]1(C)O
InChI:1S/C18H24O3/c1-5-21-16(19)17(3)13(2)11-15(18(17,4)20)12-14-9-7-6-8-10-14/h6-11,15,20H,5,12H2,1-4H3/t15-,17+,18+/m0/s1
InChIKey:MHLUOJSZRLHEFD-CGTJXYLNSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.1678
Molecular Formula:C7H12O4
SMILES:CCOC(=O)CC(=O)OCC
InChI:1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChIKey:IYXGSMUGOJNHAZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:102.1332
Molecular Formula:C8H6
SMILES:C#CC1=CC=CC=C1
InChI:1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
InChIKey:UEXCJVNBTNXOEH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:318.3658
Molecular Formula:C21H18O3
SMILES:CCOC(=O)c1c(O)c(ccc1-c1ccccc1)-c1ccccc1
InChI:1S/C21H18O3/c1-2-24-21(23)19-17(15-9-5-3-6-10-15)13-14-18(20(19)22)16-11-7-4-8-12-16/h3-14,22H,2H2,1H3
InChIKey:GXMHIERSHFDYOY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.1944
Molecular Formula:C8H14O4
SMILES:CCOC(=O)C(C)C(=O)OCC
InChI:1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3
InChIKey:UPQZOUHVTJNGFK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:260.3297
Molecular Formula:C19H16O
SMILES:Cc1c(O)c(ccc1-c1ccccc1)-c1ccccc1
InChI:1S/C19H16O/c1-14-17(15-8-4-2-5-9-15)12-13-18(19(14)20)16-10-6-3-7-11-16/h2-13,20H,1H3
InChIKey:VASQEORCHORSAU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:562.025
Molecular Formula:C3F9InO9S3
SMILES:FC(F)(F)S(=O)(=O)O[In](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:68.074
Molecular Formula:C4H4O
SMILES:CC(=O)C#C
InChI:1S/C4H4O/c1-3-4(2)5/h1H,2H3
InChIKey:XRGPFNGLRSIPSA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:204.2219
Molecular Formula:C12H12O3
SMILES:CC(=O)C1=CC(=CC(=C1)C(C)=O)C(C)=O
InChI:1S/C12H12O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H,1-3H3
InChIKey:HSOAIPRTHLEQFI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:261.4621
Molecular Formula:C16H36FN
SMILES:[F-].CCCC[N+](CCCC)(CCCC)CCCC
InChI:1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey:FPGGTKZVZWFYPV-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:206.2393
Molecular Formula:C15H10O
SMILES:O=CC1=CC=CC=C1C#CC1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:116.1598
Molecular Formula:C9H8
SMILES:CC#CC1=CC=CC=C1
InChI:1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3
InChIKey:GHUURDQYRGVEHX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:218.2931
Molecular Formula:C17H14
SMILES:CC1=CC2=CC=CC=C2C=C1C1=CC=CC=C1
InChI:1S/C17H14/c1-13-11-15-9-5-6-10-16(15)12-17(13)14-7-3-2-4-8-14/h2-12H,1H3
InChIKey:TWYGWJOODSSVJT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Trichloracetic acid
Molecular Weight:163.387
Molecular Formula:C2HCl3O2
SMILES:OC(=O)C(Cl)(Cl)Cl
InChI:1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey:YNJBWRMUSHSURL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:C6H10O
SMILES:C1CCC2OC2C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:Not Available
SMILES:*OC1CCCCC1*
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:242.3975
Molecular Formula:C15H30O2
SMILES:CCCCCCCCCCCCCCC(O)=O
InChI:1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKey:WQEPLUUGTLDZJY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:2.01588
Molecular Formula:H2
SMILES:[H][H]
InChI:1S/H2/h1H
InChIKey:UFHFLCQGNIYNRP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:228.414
Molecular Formula:C15H32O
SMILES:CCCCCCCCCCCCCCCO
InChI:1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
InChIKey:REIUXOLGHVXAEO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:400.2291
Molecular Formula:C15H21O6Rh
SMILES:CC(=O)\C=C(\C)O[Rh](O\C(C)=C/C(C)=O)O\C(C)=C/C(C)=O
InChI:1S/3C5H8O2.Rh/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
InChIKey:DGOINFUDFBWCMX-LNTINUHCSA-K
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Compound Information
Drug synonym:Not Available
Molecular Weight:90.121
Molecular Formula:C4H10O2
SMILES:COCCOC
InChI:1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
InChIKey:XTHFKEDIFFGKHM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:230.3868
Molecular Formula:C14H30O2
SMILES:CCCCCCCCCCCCC(O)CO
InChI:1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3
InChIKey:DWANEFRJKWXRSG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:130.2279
Molecular Formula:C8H18O
SMILES:CCCCCC(O)CC
InChI:1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
InChIKey:NMRPBPVERJPACX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:196.3721
Molecular Formula:C14H28
SMILES:CCCCCCCCCCCCC=C
InChI:1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3
InChIKey:HFDVRLIODXPAHB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:128.212
Molecular Formula:C8H16O
SMILES:CCCCCC(=O)CC
InChI:1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
InChIKey:RHLVCLIPMVJYKS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:210.056
Molecular Formula:C6H11I
SMILES:I[CH:5]1[CH2:6][CH2:1][CH2:2][CH2:3][CH2:4]1
InChI:1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey:FUCOMWZKWIEKRK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:28.0101
Molecular Formula:CO
SMILES:[C-]#[O+]
InChI:1S/CO/c1-2
InChIKey:UGFAIRIUMAVXCW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:32.0419
Molecular Formula:CH4O
SMILES:CO
InChI:1S/CH4O/c1-2/h2H,1H3
InChIKey:OKKJLVBELUTLKV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:142.1956
Molecular Formula:C8H14O2
SMILES:CO[C:7](=[O:8])[CH:6]1[CH2:1][CH2:2][CH2:3][CH2:4][CH2:5]1
InChI:1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey:ZQWPRMPSCMSAJU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.2055
Molecular Formula:CK2O3
SMILES:[K+].[K+].[O-]C([O-])=O
InChI:1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
InChIKey:BWHMMNNQKKPAPP-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:72.1057
Molecular Formula:C4H8O
SMILES:C1CCOC1
InChI:1S/C4H8O/c1-2-4-5-3-1/h1-4H2
InChIKey:WYURNTSHIVDZCO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:102.1748
Molecular Formula:C6H14O
SMILES:CC(C)OC(C)C
InChI:1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.567
Molecular Formula:C7H5ClO
SMILES:ClC(=O)C1=CC=CC=C1
InChI:1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey:PASDCCFISLVPSO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.2011
Molecular Formula:C10H12O2
SMILES:CC(C)OC(=O)C1=CC=CC=C1
InChI:1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey:FEXQDZTYJVXMOS-UHFFFAOYSA-N
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