Standard Article

Dicarbonyl(acetylacetonato) Rhodium (I)

  1. Michael J. Zacuto1,
  2. James L. Leighton1,
  3. Bernhard Breit2

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn00024.pub2

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Zacuto, M. J., Leighton, J. L. and Breit, B. 2013. Dicarbonyl(acetylacetonato) Rhodium (I). e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. 1

    Columbia University, New York, NY, USA

  2. 2

    Albert-Ludwigs-Universität Freiburg, Germany

Publication History

  1. Published Online: 16 SEP 2013

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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: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: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:258.0336
Molecular Formula:C7H7O4Rh
SMILES:[C-]#[O+].[C-]#[O+].CC(=O)\C=C(\C)O[Rh]
InChI:1S/C5H8O2.2CO.Rh/c1-4(6)3-5(2)7;2*1-2;/h3,6H,1-2H3;;;/q;;;+1/p-1/b4-3-;;;
InChIKey:BZCAWKOPWNIDOC-FGSKAQBVSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:110.1537
Molecular Formula:C7H10O
SMILES:CC(=C)COCC#C
InChI:1S/C7H10O/c1-4-5-8-6-7(2)3/h1H,2,5-6H2,3H3
InChIKey:NMZZBHNFBRLLRY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.2664
Molecular Formula:C8H12Si
SMILES:C[SiH](C)C1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:274.4302
Molecular Formula:C16H22O2Si
SMILES:[H]C(=O)C(\COCC(C)=C)=C/[Si](C)(C)C1=CC=CC=C1
InChI:1S/C16H22O2Si/c1-14(2)11-18-12-15(10-17)13-19(3,4)16-8-6-5-7-9-16/h5-10,13H,1,11-12H2,2-4H3/b15-13+
InChIKey:SZOYYDDAHSWDGP-FYWRMAATSA-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:182.3348
Molecular Formula:C10H18OSi
SMILES:C[SiH](C)O[C@H]1CCCC[C@@H]1C#C
InChI:1S/C10H18OSi/c1-4-9-7-5-6-8-10(9)11-12(2)3/h1,9-10,12H,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKey:UCCBCNCIFGEUEW-UWVGGRQHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:210.3449
Molecular Formula:C11H18O2Si
SMILES:[H]C(=O)\C=C1\[C@@]2([H])CCCC[C@]2([H])O[Si]1(C)C
InChI:1S/C11H18O2Si/c1-14(2)11(7-8-12)9-5-3-4-6-10(9)13-14/h7-10H,3-6H2,1-2H3/b11-7-/t9-,10-/m0/s1
InChIKey:DNBJWJLNLCQPQL-VLFDAMPASA-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:78.1118
Molecular Formula:C6H6
SMILES:C1=CC=CC=C1
InChI:1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey:UHOVQNZJYSORNB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:238.4411
Molecular Formula:C14H26OSi
SMILES:[H][Si](CC=C)(CC=C)O[C@H](C(C)C)[C@@H](C)C=C
InChI:1S/C14H26OSi/c1-7-10-16(11-8-2)15-14(12(4)5)13(6)9-3/h7-9,12-14,16H,1-3,10-11H2,4-6H3/t13-,14+/m0/s1
InChIKey:WXVOHQDLQVTJEY-UONOGXRCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:216.3172
Molecular Formula:C12H24O3
SMILES:CC(C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)CC=C
InChI:1S/C12H24O3/c1-5-6-10(13)7-11(14)9(4)12(15)8(2)3/h5,8-15H,1,6-7H2,2-4H3/t9-,10-,11-,12+/m0/s1
InChIKey:PFSRWEONLNOQQM-FIQHERPVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:34.0147
Molecular Formula:H2O2
SMILES:[H]OO[H]
InChI:1S/H2O2/c1-2/h1-2H
InChIKey:MHAJPDPJQMAIIY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:84.0066
Molecular Formula:CHNaO3
SMILES:[Na+].OC([O-])=O
InChI:1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
InChIKey:UIIMBOGNXHQVGW-UHFFFAOYSA-M
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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: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:448.5061
Molecular Formula:C24H32O8
SMILES:CCOC(=O)C(C\C=C\CC(CC#C)(C(=O)OCC)C(=O)OCC)(CC#C)C(=O)OCC
InChI:1S/C24H32O8/c1-7-15-23(19(25)29-9-3,20(26)30-10-4)17-13-14-18-24(16-8-2,21(27)31-11-5)22(28)32-12-6/h1-2,13-14H,9-12,15-18H2,3-6H3/b14-13+
InChIKey:ZRMZLSQYURCONC-BUHFOSPRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:584.7725
Molecular Formula:C32H44O8Si
SMILES:[H][C@@]1(CC(CC1=C)(C(=O)OCC)C(=O)OCC)[C@@]1([H])CC(C\C1=C\[Si](C)(C)C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC
InChI:1S/C32H44O8Si/c1-8-37-27(33)31(28(34)38-9-2)17-22(5)25(19-31)26-20-32(29(35)39-10-3,30(36)40-11-4)18-23(26)21-41(6,7)24-15-13-12-14-16-24/h12-16,21,25-26H,5,8-11,17-20H2,1-4,6-7H3/b23-21-/t25-,26-/m0/s1
InChIKey:AZYHAAHHDWGECQ-YMPLURJOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:336.4657
Molecular Formula:C20H32O4
SMILES:COCC(COC)(CC=C)CC#CCC(COC)(COC)CC#C
InChI:1S/C20H32O4/c1-7-11-19(15-21-3,16-22-4)13-9-10-14-20(12-8-2,17-23-5)18-24-6/h1,8H,2,11-18H2,3-6H3
InChIKey:IKTGGXCQMXIZLC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:364.4758
Molecular Formula:C21H32O5
SMILES:COCC1(COC)CC2CC(=O)C=C3CC(COC)(COC)CC3=C2C1
InChI:1S/C21H32O5/c1-23-11-20(12-24-2)7-15-5-17(22)6-16-8-21(13-25-3,14-26-4)10-19(16)18(15)9-20/h5,16H,6-14H2,1-4H3
InChIKey:XSEVHMYCGPUUDB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:127.977
Molecular Formula:C6H13BO2
SMILES:CCCC\C=C\B(O)O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:70.0898
Molecular Formula:C4H6O
SMILES:CC(=O)C=C
InChI:1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
InChIKey:FUSUHKVFWTUUBE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:154.2493
Molecular Formula:C10H18O
SMILES:CCCC\C=C\CCC(C)=O
InChI:1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChIKey:QYPLUMNWWBFAJS-VOTSOKGWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:426.4694
Molecular Formula:C28H28P2
SMILES:C(CCP(C1=CC=CC=C1)C1=CC=CC=C1)CP(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
InChIKey:BCJVBDBJSMFBRW-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:56.0633
Molecular Formula:C3H4O
SMILES:[H]C(=O)C=C
InChI:1S/C3H4O/c1-2-3-4/h2-3H,1H2
InChIKey:HGINCPLSRVDWNT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:142.1558
Molecular Formula:C6H10N2O2
SMILES:CON(C)C(=O)C(C)C#N
InChI:1S/C6H10N2O2/c1-5(4-7)6(9)8(2)10-3/h5H,1-3H3
InChIKey:QEMYUHVDLXABFU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:198.2191
Molecular Formula:C9H14N2O3
SMILES:[H]C(=O)CC[C@](C)(C#N)C(=O)N(C)OC
InChI:1S/C9H14N2O3/c1-9(7-10,5-4-6-12)8(13)11(2)14-3/h6H,4-5H2,1-3H3/t9-/m1/s1
InChIKey:SJVQLOXTVRANSY-SECBINFHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:82.1436
Molecular Formula:C6H10
SMILES:CCCCC#C
InChI:1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
InChIKey:CGHIBGNXEGJPQZ-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:374.15
Molecular Formula:C16H33NOSn
SMILES:CCCC\C(=C\C(=O)N(C(C)C)C(C)C)[Sn](C)(C)C
InChI:1S/C13H24NO.3CH3.Sn/c1-6-7-8-9-10-13(15)14(11(2)3)12(4)5;;;;/h10-12H,6-8H2,1-5H3;3*1H3;
InChIKey:UFRJHGBLPVTMDZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:435.35
Molecular Formula:C12H23ClHgO2
SMILES:[H][C@@]1(CCCCC)C[C@]([H])(C[Hg]Cl)OC(C)(C)O1
InChI:1S/C12H23O2.ClH.Hg/c1-5-6-7-8-11-9-10(2)13-12(3,4)14-11;;/h10-11H,2,5-9H2,1,3-4H3;1H;/q;;+1/p-1/t10-,11+;;/m0../s1
InChIKey:VJVUHSOCQWXVQX-IREPQIBFSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:228.3279
Molecular Formula:C13H24O3
SMILES:[H]C(=O)C[C@@]1([H])C[C@@]([H])(CCCCC)OC(C)(C)O1
InChI:1S/C13H24O3/c1-4-5-6-7-11-10-12(8-9-14)16-13(2,3)15-11/h9,11-12H,4-8,10H2,1-3H3/t11-,12+/m1/s1
InChIKey:NGFOWZABEXRSOU-NEPJUHHUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:478.6026
Molecular Formula:C30H39O3P
SMILES:CC(C)(C)C1=C(OP(OC2=C(C=CC=C2)C(C)(C)C)OC2=C(C=CC=C2)C(C)(C)C)C=CC=C1
InChI:1S/C30H39O3P/c1-28(2,3)22-16-10-13-19-25(22)31-34(32-26-20-14-11-17-23(26)29(4,5)6)33-27-21-15-12-18-24(27)30(7,8)9/h10-21H,1-9H3
InChIKey:SZPHBONKPMLMCA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.1729
Molecular Formula:C6H12N2
SMILES:C1CN2CCN1CC2
InChI:1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
InChIKey:IMNIMPAHZVJRPE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.1051
Molecular Formula:C4H8O2
SMILES:CCOC(C)=O
InChI:1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey:XEKOWRVHYACXOJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:279.2729
Molecular Formula:C17H14NOP
SMILES:O=c1cccc([nH]1)P(c1ccccc1)c1ccccc1
InChI:1S/C17H14NOP/c19-16-12-7-13-17(18-16)20(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H,(H,18,19)
InChIKey:NSVQJDRZISUWOK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:476.974
Molecular Formula:C29H30ClO2P
SMILES:CC(=C)[C@@H](OC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)C(\C)=C\CCCCl
InChI:1S/C29H30ClO2P/c1-22(2)28(23(3)14-12-13-21-30)32-29(31)26-19-10-11-20-27(26)33(24-15-6-4-7-16-24)25-17-8-5-9-18-25/h4-11,14-20,28H,1,12-13,21H2,2-3H3/b23-14+/t28-/m1/s1
InChIKey:VSXJJSJPVSBXJL-SKJXIIFASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:507
Molecular Formula:C30H32ClO3P
SMILES:C[C@@H](CC=O)[C@@H](OC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)C(\C)=C\CCCCl
InChI:1S/C30H32ClO3P/c1-23(13-11-12-21-31)29(24(2)20-22-32)34-30(33)27-18-9-10-19-28(27)35(25-14-5-3-6-15-25)26-16-7-4-8-17-26/h3-10,13-19,22,24,29H,11-12,20-21H2,1-2H3/b23-13+/t24-,29-/m0/s1
InChIKey:WTELUTVWYVIPIS-FHMSPPRJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:507
Molecular Formula:C30H32ClO3P
SMILES:C[C@H](CC=O)[C@@H](OC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)C(\C)=C\CCCCl
InChI:1S/C30H32ClO3P/c1-23(13-11-12-21-31)29(24(2)20-22-32)34-30(33)27-18-9-10-19-28(27)35(25-14-5-3-6-15-25)26-16-7-4-8-17-26/h3-10,13-19,22,24,29H,11-12,20-21H2,1-2H3/b23-13+/t24-,29+/m1/s1
InChIKey:WTELUTVWYVIPIS-WJAVYMJRSA-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:310.2837
Molecular Formula:C18H15O3P
SMILES:O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H
InChIKey:HVLLSGMXQDNUAL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:263.3752
Molecular Formula:C16H25NO2
SMILES:C[C@H]1CC23C4CCCN2CCCC3C(=O)CC4[C@@H]1O
InChI:1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-13,15,19H,2-9H2,1H3/t10-,11?,12?,13?,15+,16?/m0/s1
InChIKey:LBISDCPXNBKNSN-RIGBYGSGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.2747
Molecular Formula:C11H20O3
SMILES:C[C@@H](O)CCCCC\C=C/OC(C)=O
InChI:1S/C11H20O3/c1-10(12)8-6-4-3-5-7-9-14-11(2)13/h7,9-10,12H,3-6,8H2,1-2H3/b9-7-/t10-/m1/s1
InChIKey:NLISSOMWDJFLJZ-UJICNMFASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:230.3007
Molecular Formula:C12H22O4
SMILES:C[C@@H](O)CCCCCC[C@H](OC(C)=O)C=O
InChI:1S/C12H22O4/c1-10(14)7-5-3-4-6-8-12(9-13)16-11(2)15/h9-10,12,14H,3-8H2,1-2H3/t10-,12+/m1/s1
InChIKey:YPVSWYXKUHYOHK-PWSUYJOCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1407.4882
Molecular Formula:C86H72N8O8P2
SMILES:C[C@H](NC(=O)c1ccccc1[C@@H]1P([C@@H](c2ccccc2C(=O)N[C@@H](C)c2ccccc2)n2n1c(=O)c1ccccc1c2=O)c1ccccc1P1[C@@H](c2ccccc2C(=O)N[C@@H](C)c2ccccc2)n2n([C@@H]1c1ccccc1C(=O)N[C@@H](C)c1ccccc1)c(=O)c1ccccc1c2=O)c1ccccc1
InChI:1S/C86H72N8O8P2/c1-53(57-31-9-5-10-32-57)87-75(95)61-39-17-25-47-69(61)83-91-79(99)65-43-21-22-44-66(65)80(100)92(91)84(70-48-26-18-40-62(70)76(96)88-54(2)58-33-11-6-12-34-58)103(83)73-51-29-30-52-74(73)104-85(71-49-27-19-41-63(71)77(97)89-55(3)59-35-13-7-14-36-59)93-81(101)67-45-23-24-46-68(67)82(102)94(93)86(104)72-50-28-20-42-64(72)78(98)90-56(4)60-37-15-8-16-38-60/h5-56,83-86H,1-4H3,(H,87,95)(H,88,96)(H,89,97)(H,90,98)/t53-,54-,55-,56-,83-,84-,85-,86-/m0/s1
InChIKey:VCMAARGLPOOFGJ-DGFMTLLGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:212.2854
Molecular Formula:C12H20O3
SMILES:C[C@@H]1CCCCCC[C@H](O)\C=C\C(=O)O1
InChI:1S/C12H20O3/c1-10-6-4-2-3-5-7-11(13)8-9-12(14)15-10/h8-11,13H,2-7H2,1H3/b9-8+/t10-,11+/m1/s1
InChIKey:KANOICQRSIXTJU-OJLMFNQTSA-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:349.3462
Molecular Formula:C19H17N4OP
SMILES:NC(=[NH2+])NC(=O)c1cccc(n1)P(c1ccccc1)c1ccccc1
InChI:1S/C19H17N4OP/c20-19(21)23-18(24)16-12-7-13-17(22-16)25(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H,(H4,20,21,23,24)/p+1
InChIKey:YZPVOPZSMHSKBY-UHFFFAOYSA-O
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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: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:315.2538
Molecular Formula:C17H12F2NOP
SMILES:Fc1ccc(cc1)P(c1ccc(F)cc1)c1cccc(=O)[nH]1
InChI:1S/C17H12F2NOP/c18-12-4-8-14(9-5-12)22(15-10-6-13(19)7-11-15)17-3-1-2-16(21)20-17/h1-11H,(H,20,21)
InChIKey:YFDJEPBCWJXXHZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:396.3795
Molecular Formula:C20H21N4O3P
SMILES:COc1ccc(cc1)P(c1ccc([nH]1)C(=O)NC(N)=N)c1ccc(OC)cc1
InChI:1S/C20H21N4O3P/c1-26-13-3-7-15(8-4-13)28(16-9-5-14(27-2)6-10-16)18-12-11-17(23-18)19(25)24-20(21)22/h3-12,23H,1-2H3,(H4,21,22,24,25)
InChIKey:SBTFYMKGXJACMQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1589
Molecular Formula:C6H12O
SMILES:[H]C(=O)CCCCC
InChI:1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
InChIKey:JARKCYVAAOWBJS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:121.93
Molecular Formula:C6H7BO2
SMILES:OB(O)C1=CC=CC=C1
InChI:1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
InChIKey:HXITXNWTGFUOAU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.2707
Molecular Formula:C12H18O
SMILES:CCCCCC(O)C1=CC=CC=C1
InChI:1S/C12H18O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9,12-13H,2-3,5,10H2,1H3
InChIKey:SVCRDVHXRDRHCP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1169.3661
Molecular Formula:Not Available
SMILES:CC(C)(C)c1cc(CC(CC(C*)c2ccccc2)c2ccccc2)cc(c1Op1oc2ccccc2c2ccccc2o1)-c1cc(CC(CC(C*)c2ccccc2)c2ccccc2)cc(c1Op1oc2ccccc2c2ccccc2o1)C(C)(C)C
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:290.295
Molecular Formula:C13H10N2O4S
SMILES:[O-][N+](=O)c1ccc(cc1)S(=O)(=O)\N=C\c1ccccc1
InChI:1S/C13H10N2O4S/c16-15(17)12-6-8-13(9-7-12)20(18,19)14-10-11-4-2-1-3-5-11/h1-10H/b14-10+
InChIKey:ONIWOLSJVJURJE-GXDHUFHOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:189.928
Molecular Formula:C7H6BF3O2
SMILES:[H]C1=C(C=CC(=C1[H])C(F)(F)F)B(O)O
InChI:1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
InChIKey:ALMFIOZYDASRRC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:436.404
Molecular Formula:C20H15F3N2O4S
SMILES:[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(c1ccccc1)c1ccc(cc1)C(F)(F)F
InChI:1S/C20H15F3N2O4S/c21-20(22,23)16-8-6-15(7-9-16)19(14-4-2-1-3-5-14)24-30(28,29)18-12-10-17(11-13-18)25(26)27/h1-13,19,24H
InChIKey:YYKKEQGTVAWODS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.1051
Molecular Formula:C4H8O2
SMILES:C1COCCO1
InChI:1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKey:RYHBNJHYFVUHQT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.2878
Molecular Formula:C10H12Si
SMILES:C[Si](C)(C#C)c1ccccc1
InChI:1S/C10H12Si/c1-4-11(2,3)10-8-6-5-7-9-10/h1,5-9H,2-3H3
InChIKey:SSEAMHJAEFEPPK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:216.351
Molecular Formula:C13H16OSi
SMILES:C[Si](C)(C#CCCC=O)c1ccccc1
InChI:1S/C13H16OSi/c1-15(2,12-8-4-7-11-14)13-9-5-3-6-10-13/h3,5-6,9-11H,4,7H2,1-2H3
InChIKey:WKPUJOWLFCOYBC-UHFFFAOYSA-N
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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:135.956
Molecular Formula:C7H9BO2
SMILES:CC1=CC=C(C=C1)B(O)O
InChI:1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
InChIKey:BIWQNIMLAISTBV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:208.2982
Molecular Formula:C16H16
SMILES:C\C(=C/c1ccccc1)c1ccc(C)cc1
InChI:1S/C16H16/c1-13-8-10-16(11-9-13)14(2)12-15-6-4-3-5-7-15/h3-12H,1-2H3/b14-12+
InChIKey:MRCWYHVGXKPPLZ-WYMLVPIESA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.943
Molecular Formula:C2H2Cl2O
SMILES:ClCC(Cl)=O
InChI:1S/C2H2Cl2O/c3-1-2(4)5/h1H2
InChIKey:VGCXGMAHQTYDJK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:110.1968
Molecular Formula:C8H14
SMILES:CCCCCCC#C
InChI:1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3
InChIKey:UMIPWJGWASORKV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:223.139
Molecular Formula:C10H16Cl2O
SMILES:CCCCCC\C(Cl)=C\C(=O)CCl
InChI:1S/C10H16Cl2O/c1-2-3-4-5-6-9(12)7-10(13)8-11/h7H,2-6,8H2,1H3/b9-7-
InChIKey:YSIDEOBOQLSUCE-CLFYSBASSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:306.2333
Molecular Formula:C18H15As
SMILES:C1=CC=C(C=C1)[As](C1=CC=CC=C1)C1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.2277
Molecular Formula:C11H14O2
SMILES:CC(C)(C)c1ccc(O)c(C=O)c1
InChI:1S/C11H14O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h4-7,13H,1-3H3
InChIKey:ZVCQQLGWGRTXGC-UHFFFAOYSA-N
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Compound Information
Drug synonym:crospovidone, Kollidon, Plasdone, Povidone
Molecular Weight:111.1418
Molecular Formula:C6H9NO
SMILES:C=CN1CCCC1=O
InChI:1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
InChIKey:WHNWPMSKXPGLAX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:289.3694
Molecular Formula:C17H23NO3
SMILES:CC(N1CCCC1=O)C(=O)c1cc(ccc1O)C(C)(C)C
InChI:1S/C17H23NO3/c1-11(18-9-5-6-15(18)20)16(21)13-10-12(17(2,3)4)7-8-14(13)19/h7-8,10-11,19H,5-6,9H2,1-4H3
InChIKey:WFPPKPQFQVWZIO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:316.2569
Molecular Formula:C18H12F3P
SMILES:[H]C1=C([H])C(=CC=C1F)P(C1=CC=C(F)C([H])=C1[H])C1=CC=C(F)C([H])=C1[H]
InChI:1S/C18H12F3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey:GEPJPYNDFSOARB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:212.2191
Molecular Formula:C14H9FO
SMILES:Oc1ccccc1C#Cc1ccc(F)cc1
InChI:1S/C14H9FO/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10,16H
InChIKey:CRGHUPHQJTXAAR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:212.2191
Molecular Formula:C14H9FO
SMILES:FC1=CC=C(C=C1)C1=CC2=C(O1)C=CC=C2
InChI:1S/C14H9FO/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H
InChIKey:NNKOXOJYMOLKIP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:622.6724
Molecular Formula:C44H32P2
SMILES:C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1
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:189.641
Molecular Formula:C11H8ClN
SMILES:ClC1=CC=C(C=C1)C1=NC=CC=C1
InChI:1S/C11H8ClN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H
InChIKey:WHXIEVDMCNQVOV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.1479
Molecular Formula:C8H8O2
SMILES:[H]C(=O)C1=CC=C(OC)C=C1
InChI:1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKey:ZRSNZINYAWTAHE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:295.763
Molecular Formula:C18H14ClNO
SMILES:COc1ccc(cc1)-c1cc(Cl)ccc1-c1ccccn1
InChI:1S/C18H14ClNO/c1-21-15-8-5-13(6-9-15)17-12-14(19)7-10-16(17)18-4-2-3-11-20-18/h2-12H,1H3
InChIKey:YAZAGYMWTPPMHB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:401.885
Molecular Formula:C25H20ClNO2
SMILES:COc1ccc(cc1)-c1cc(Cl)cc(-c2ccc(OC)cc2)c1-c1ccccn1
InChI:1S/C25H20ClNO2/c1-28-20-10-6-17(7-11-20)22-15-19(26)16-23(18-8-12-21(29-2)13-9-18)25(22)24-5-3-4-14-27-24/h3-16H,1-2H3
InChIKey:HIGQJNLURVMHPJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:146.2273
Molecular Formula:C8H18O2
SMILES:CC(C)(C)OOC(C)(C)C
InChI:Not Available
InChIKey:Not Available
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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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