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Calcium Hypochlorite

  1. Philip M. Keehn1,
  2. Stephan O. Nwaukwa2,
  3. Amol A. Kulkarni3

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rc006.pub2

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Keehn, P. M., Nwaukwa, S. O. and Kulkarni, A. A. 2013. Calcium Hypochlorite. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. 1

    Ondo State University, Ado-Ekiti, Nigeria

  2. 2

    Brandeis University, Waltham, MA, USA

  3. 3

    Howard University, Washington, DC, USA

Publication History

  1. Published Online: 16 SEP 2013

Featured Compounds

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  1. 1 - 138
Compound Information
Drug synonym:Not Available
Molecular Weight:142.983
Molecular Formula:CaCl2O2
SMILES:[Ca++].[O-]Cl.[O-]Cl
InChI:1S/Ca.2ClO/c;2*1-2/q+2;2*-1
InChIKey:ZKQDCIXGCQPQNV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.1482
Molecular Formula:C5H12O
SMILES:CCCCCO
InChI:1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey:AMQJEAYHLZJPGS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:172.2646
Molecular Formula:C10H20O2
SMILES:CCCCCOC(=O)CCCC
InChI:1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3
InChIKey:FGPPDYNPZTUNIU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:41.0519
Molecular Formula:C2H3N
SMILES:CC#N
InChI:1S/C2H3N/c1-2-3/h1H3
InChIKey:WEVYAHXRMPXWCK-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:ethanoic acid
Molecular Weight:60.052
Molecular Formula:C2H4O2
SMILES:CC(O)=O
InChI:1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey:QTBSBXVTEAMEQO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:218.2469
Molecular Formula:C10H18O5
SMILES:CO[C@H]1[C@@H](CCO)O[C@@H]2OC(C)(C)O[C@H]12
InChI:1S/C10H18O5/c1-10(2)14-8-7(12-3)6(4-5-11)13-9(8)15-10/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKey:WGJOJZRXTABKKH-BZNPZCIMSA-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:246.257
Molecular Formula:C11H18O6
SMILES:CO[C@H]1[C@@H](CC(=O)OC)O[C@@H]2OC(C)(C)O[C@H]12
InChI:1S/C11H18O6/c1-11(2)16-9-8(14-4)6(5-7(12)13-3)15-10(9)17-11/h6,8-10H,5H2,1-4H3/t6-,8+,9-,10-/m1/s1
InChIKey:VTRVPRNANKHFEJ-XCWAXFADSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.1855
Molecular Formula:C7H14O
SMILES:OCC1CCCCC1
InChI:1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKey:VSSAZBXXNIABDN-UHFFFAOYSA-N
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Compound Information
Drug synonym:cyclohexanecarboxylic acid, Hexahydrobenzoic Acid
Molecular Weight:128.169
Molecular Formula:C7H12O2
SMILES:OC(=O)C1CCCCC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:74.1216
Molecular Formula:C4H10O
SMILES:CC(C)(C)O
InChI:1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKey:DKGAVHZHDRPRBM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1589
Molecular Formula:C6H12O
SMILES:[H]C(=O)C(CC)CC
InChI:1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
InChIKey:UNNGUFMVYQJGTD-UHFFFAOYSA-N
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Compound Information
Drug synonym:2‐ethylbutanoic acid, 2‐ethylbutyric acid, diethylacetic acid
Molecular Weight:116.1583
Molecular Formula:C6H12O2
SMILES:CCC(CC)C(O)=O
InChI:1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey:OXQGTIUCKGYOAA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.567
Molecular Formula:C7H5ClO
SMILES:[H]C(=O)C1=CC=C(Cl)C=C1[H]
InChI:1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKey:AVPYQKSLYISFPO-UHFFFAOYSA-N
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Compound Information
Drug synonym:4‐chlorobenzoic acid
Molecular Weight:156.566
Molecular Formula:C7H5ClO2
SMILES:[H]C1=C(C=CC(Cl)=C1)C(O)=O
InChI:1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey:XRHGYUZYPHTUJZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:210.3556
Molecular Formula:C14H26O
SMILES:CCCCCCCCCCCC#CCO
InChI:1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-11,14H2,1H3
InChIKey:IAHLRPQGNFWAQX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:208.3398
Molecular Formula:C14H24O
SMILES:CCCCCCCCCCCC#CC=O
InChI:1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-11H2,1H3
InChIKey:ADDKUKYGCBBLAM-UHFFFAOYSA-N
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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:154.2493
Molecular Formula:C10H18O
SMILES:CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2
InChI:1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKey:DTGKSKDOIYIVQL-QXFUBDJGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.2334
Molecular Formula:C10H16O
SMILES:CC1(C)[C@H]2CC[C@]1(C)C(=O)C2
InChI:1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
InChIKey:DSSYKIVIOFKYAU-OIBJUYFYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:86.1323
Molecular Formula:C5H10O
SMILES:OC1CCCC1
InChI:1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
InChIKey:XCIXKGXIYUWCLL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:84.1164
Molecular Formula:C5H8O
SMILES:O=C1CCCC1
InChI:1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
InChIKey:BGTOWKSIORTVQH-UHFFFAOYSA-N
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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:130.2279
Molecular Formula:C8H18O
SMILES:CCCCOCCCC
InChI:1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKey:DURPTKYDGMDSBL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:144.2114
Molecular Formula:C8H16O2
SMILES:CCCCOC(=O)CCC
InChI:1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
InChIKey:XUPYJHCZDLZNFP-UHFFFAOYSA-N
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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:86.0892
Molecular Formula:C4H6O2
SMILES:O=C1CCCO1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:146.294
Molecular Formula:C8H18S
SMILES:CCCCSCCCC
InChI:1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKey:HTIRHQRTDBPHNZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:162.293
Molecular Formula:C8H18OS
SMILES:CCCCS(=O)CCCC
InChI:1S/C8H18OS/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
InChIKey:LOWMYOWHQMKBTM-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:366.4517
Molecular Formula:C26H22O2
SMILES:[OH:14][C:7]([C:5]1=[CH:6][CH:1]=[CH:2][CH:3]=[CH:4]1)([C:8]1=[CH:13][CH:12]=[CH:11][CH:10]=[CH:9]1)[C:15](O)([C:16]1=[CH:21][CH:20]=[CH:19][CH:18]=[CH:17]1)[C:22]1=[CH:27][CH:26]=[CH:25][CH:24]=[CH:23]1
InChI:1S/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27-28H
InChIKey:MFEWNFVBWPABCX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:182.2179
Molecular Formula:C13H10O
SMILES:O=C(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey:RWCCWEUUXYIKHB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.097
Molecular Formula:C5H7NaO3
SMILES:[Na+].CCCC(=O)C([O-])=O
InChI:1S/C5H8O3.Na/c1-2-3-4(6)5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1
InChIKey:PPAYYZDRYXSSMC-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.1051
Molecular Formula:C4H8O2
SMILES:[H]OC(=O)CCC
InChI:1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey:FERIUCNNQQJTOY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:196.1999
Molecular Formula:C10H12O4
SMILES:CC(O)C(O)C1=CC2=C(OCO2)C=C1
InChI:1S/C10H12O4/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6,10-12H,5H2,1H3
InChIKey:YIRAEUKOPKEBHB-UHFFFAOYSA-N
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Compound Information
Drug synonym:3,4‐(methylenedioxy)benzaldehyde, heliotropin, piperonal
Molecular Weight:150.1314
Molecular Formula:C8H6O3
SMILES:[H]C(=O)C1=CC2=C(OCO2)C=C1
InChI:1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKey:SATCULPHIDQDRE-UHFFFAOYSA-N
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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:230.645
Molecular Formula:C10H11ClO4
SMILES:CC(O)C(O)C1=C(Cl)C=C2OCOC2=C1
InChI:1S/C10H11ClO4/c1-5(12)10(13)6-2-8-9(3-7(6)11)15-4-14-8/h2-3,5,10,12-13H,4H2,1H3
InChIKey:RMOZNWVQKLMABA-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:126.583
Molecular Formula:C7H7Cl
SMILES:CC1=CC=C(Cl)C=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:58.0791
Molecular Formula:C3H6O
SMILES:CC(C)=O
InChI:1S/C3H6O/c1-3(2)4/h1-2H3
InChIKey:CSCPPACGZOOCGX-UHFFFAOYSA-N
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Compound Information
Drug synonym:acetanilide, antifebrin, N‐acetylaniline, N‐phenylacetamide
Molecular Weight:135.1632
Molecular Formula:C8H9NO
SMILES:CC(=O)NC1=CC=CC=C1
InChI:1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
InChIKey:FZERHIULMFGESH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:169.608
Molecular Formula:C8H8ClNO
SMILES:[H]C1=C(Cl)C=CC(NC(C)=O)=C1[H]
InChI:1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey:GGUOCFNAWIODMF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:108.1378
Molecular Formula:C7H8O
SMILES:[H]C1=CC=C(OC)C=C1
InChI:1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey:RDOXTESZEPMUJZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:142.583
Molecular Formula:C7H7ClO
SMILES:[H]C1=CC(Cl)=CC=C1OC
InChI:1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey:YRGAYAGBVIXNAQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:120.1485
Molecular Formula:C8H8O
SMILES:[H]C(=O)C1=CC=C(C)C=C1
InChI:1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChIKey:FXLOVSHXALFLKQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:170.593
Molecular Formula:C8H7ClO2
SMILES:CC1=C(Cl)C=C(C=C1)C(O)=O
InChI:1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey:SDKUOEOJAXGCLU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.1479
Molecular Formula:C8H8O2
SMILES:COC1=CC=CC=C1C=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:170.593
Molecular Formula:C8H7ClO2
SMILES:COC1=C(C=O)C=C(Cl)C=C1
InChI:1S/C8H7ClO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
InChIKey:HXTWDGGMXZXOIV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:84.1595
Molecular Formula:C6H12
SMILES:CC(C)CC=C
InChI:1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKey:WSSSPWUEQFSQQG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.62
Molecular Formula:C6H13ClO
SMILES:CC(C)CC(O)CCl
InChI:1S/C6H13ClO/c1-5(2)3-6(8)4-7/h5-6,8H,3-4H2,1-2H3
InChIKey:ORMLBVVDWANTSH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.3031
Molecular Formula:C12H22
SMILES:[CH2:10]1[CH2:11][CH2:12][CH2:8][CH2:1][CH2:2]\[CH:3]=[CH:4]/[CH2:5][CH2:6][CH2:7][CH2:9]1
InChI:1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-
InChIKey:HYPABJGVBDSCIT-UPHRSURJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:218.763
Molecular Formula:C12H23ClO
SMILES:OC1CCCCCCCCCCC1Cl
InChI:1S/C12H23ClO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-12,14H,1-10H2
InChIKey:ZQBSIIHTGXIKHM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:96.1702
Molecular Formula:C7H12
SMILES:CC1=CCCCC1
InChI:1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChIKey:CTMHWPIWNRWQEG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:148.631
Molecular Formula:C7H13ClO
SMILES:CC1(O)CCCCC1Cl
InChI:1S/C7H13ClO/c1-7(9)5-3-2-4-6(7)8/h6,9H,2-5H2,1H3
InChIKey:LXJVQOYQFQDGCJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:84.1595
Molecular Formula:C6H12
SMILES:CC(C)=C(C)C
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.62
Molecular Formula:C6H13ClO
SMILES:CC(C)(O)C(C)(C)Cl
InChI:1S/C6H13ClO/c1-5(2,7)6(3,4)8/h8H,1-4H3
InChIKey:ZZXOPZKZPDCFRL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:151.1195
Molecular Formula:C7H5NO3
SMILES:[H]C(=O)C1=CC=CC(=C1)[N+]([O-])=O
InChI:1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
InChIKey:ZETIVVHRRQLWFW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:167.1189
Molecular Formula:C7H5NO4
SMILES:OC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChI:1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
InChIKey:AFPHTEQTJZKQAQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:322.3282
Molecular Formula:C17H19FO5
SMILES:Cc1ccc2ccccc2c1O[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O
InChI:1S/C17H19FO5/c1-9-6-7-10-4-2-3-5-11(10)16(9)23-17-15(21)14(20)13(18)12(8-19)22-17/h2-7,12-15,17,19-21H,8H2,1H3/t12-,13-,14+,15-,17+/m1/s1
InChIKey:YCRMTXNGUKEDMC-GAGVYUBLSA-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: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:558.5504
Molecular Formula:C32H27FO8
SMILES:COC(=O)[C@H]1O[C@@H](Oc2c(C)ccc3ccccc23)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1F
InChI:1S/C32H27FO8/c1-19-17-18-20-11-9-10-16-23(20)25(19)40-32-28(39-30(35)22-14-7-4-8-15-22)26(24(33)27(41-32)31(36)37-2)38-29(34)21-12-5-3-6-13-21/h3-18,24,26-28,32H,1-2H3/t24-,26-,27-,28+,32+/m0/s1
InChIKey:ZQLIICCREMORGO-BDWVSHPJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:156.2453
Molecular Formula:C9H18NO
SMILES:CC1(C)CCCC(C)(C)N1[O]
InChI:1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,5-7H2,1-4H3
InChIKey:VUZNLSBZRVZGIK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:119.002
Molecular Formula:BrK
SMILES:[K+].[Br-]
InChI:1S/BrH.K/h1H;/q;+1/p-1
InChIKey:IOLCXVTUBQKXJR-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:322.368
Molecular Formula:C16H36BrN
SMILES:[Br-].CCCC[N+](CCCC)(CCCC)CCCC
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1151
Molecular Formula:CHKO3
SMILES:[K+].OC([O-])=O
InChI:1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
InChIKey:TYJJADVDDVDEDZ-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:73.0938
Molecular Formula:C3H7NO
SMILES:CN(C)C=O
InChI:1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
InChIKey:ZMXDDKWLCZADIW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:79.0999
Molecular Formula:C5H5N
SMILES:C1=CC=NC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:526.9178
Molecular Formula:C34H70O3
SMILES:CCCCCCCCCCCCCCCCOC[C@@H](CO)OCCC(C)CCC[C@H](C)CCCC(C)C
InChI:1S/C34H70O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-36-30-34(29-35)37-28-26-33(5)25-21-24-32(4)23-20-22-31(2)3/h31-35H,6-30H2,1-5H3/t32-,33?,34-/m1/s1
InChIKey:FPANUMIEHBAVHF-WEYITEOPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:540.9013
Molecular Formula:C34H68O4
SMILES:CCCCCCCCCCCCCCCCOC[C@H](OCCC(C)CCC[C@H](C)CCCC(C)C)C(O)=O
InChI:1S/C34H68O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-37-29-33(34(35)36)38-28-26-32(5)25-21-24-31(4)23-20-22-30(2)3/h30-33H,6-29H2,1-5H3,(H,35,36)/t31-,32?,33+/m1/s1
InChIKey:ZYCZTNSYFHJQGK-SIURAHGXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:276.3508
Molecular Formula:C16H22NO3
SMILES:CC1(C)CC(CC(C)(C)N1[O])OC(=O)C1=CC=CC=C1
InChI:1S/C16H23NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13,19H,10-11H2,1-4H3
InChIKey:DRFYZAIGLPMIOS-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:118.1742
Molecular Formula:C6H14O2
SMILES:CC(C)(C)C(O)CO
InChI:1S/C6H14O2/c1-6(2,3)5(8)4-7/h5,7-8H,4H2,1-3H3
InChIKey:YVHAOWGRHCPODY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:380.4181
Molecular Formula:C26H21OP
SMILES:O=C(C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H
InChIKey:MZRSAJZDYIISJW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:218.2915
Molecular Formula:C14H18O2
SMILES:CC(C)(C)C(=O)CCC(=O)C1=CC=CC=C1
InChI:1S/C14H18O2/c1-14(2,3)13(16)10-9-12(15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey:IZBIILHAJJUBNU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Benzenemethanol, phenylmethanol
Molecular Weight:108.1378
Molecular Formula:C7H8O
SMILES:OCC1=CC=CC=C1
InChI:1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey:WVDDGKGOMKODPV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1589
Molecular Formula:C6H12O
SMILES:OC1CCCCC1
InChI:Not Available
InChIKey:Not Available
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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:101.9613
Molecular Formula:Al2O3
SMILES:O=[Al]O[Al]=O
InChI:1S/2Al.3O
InChIKey:TWNQGVIAIRXVLR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:80.155
Molecular Formula:C4H8O
SMILES:[2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:92.1262
Molecular Formula:C4H6O2
SMILES:[2H]C1([2H])OC(=O)C([2H])([2H])C1([2H])[2H]
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:339.534
Molecular Formula:C16H37NO4S
SMILES:OS([O-])(=O)=O.CCCC[N+](CCCC)(CCCC)CCCC
InChI:1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKey:SHFJWMWCIHQNCP-UHFFFAOYSA-M
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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: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: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:222.1576
Molecular Formula:C8H6N4O4
SMILES:[O-][N+](=O)C1=CC=C(C=C1)N1C(=O)NNC1=O
InChI:1S/C8H6N4O4/c13-7-9-10-8(14)11(7)5-1-3-6(4-2-5)12(15)16/h1-4H,(H,9,13)(H,10,14)
InChIKey:UTMXMYSMOXIBFN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:220.1418
Molecular Formula:C8H4N4O4
SMILES:[O-][N+](=O)C1=CC=C(C=C1)N1C(=O)N=NC1=O
InChI:1S/C8H4N4O4/c13-7-9-10-8(14)11(7)5-1-3-6(4-2-5)12(15)16/h1-4H
InChIKey:UESRQNZMQYMVKM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:301.385
Molecular Formula:C20H19N3
SMILES:C(N\C(=N/NC1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C20H19N3/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)23-22-19-14-8-3-9-15-19/h1-15,22H,16H2,(H,21,23)
InChIKey:AERMLBOANSQCPP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:297.3532
Molecular Formula:C20H15N3
SMILES:C1=CC=C(C=C1)N1N=C(N=C1C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C20H15N3/c1-4-10-16(11-5-1)19-21-20(17-12-6-2-7-13-17)23(22-19)18-14-8-3-9-15-18/h1-15H
InChIKey:ZUADNMDNEIWVSE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:238.752
Molecular Formula:C11H23ClO3
SMILES:CCCCCCCCC(OO)OCCCl
InChI:1S/C11H23ClO3/c1-2-3-4-5-6-7-8-11(15-13)14-10-9-12/h11,13H,2-10H2,1H3
InChIKey:RZGNWIKURMOARN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:220.736
Molecular Formula:C11H21ClO2
SMILES:CCCCCCCCC(=O)OCCCl
InChI:1S/C11H21ClO2/c1-2-3-4-5-6-7-8-11(13)14-10-9-12/h2-10H2,1H3
InChIKey:QKSSIMYMJNDYTD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:211.473
Molecular Formula:C7H5Cl3O
SMILES:Cc1c(Cl)cc(Cl)c(O)c1Cl
InChI:1S/C7H5Cl3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
InChIKey:QTAATZDGGZYBDC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:412.092
Molecular Formula:C16H14Cl4O4
SMILES:COC1(OC)C=C(Oc2c(Cl)cc(Cl)c(C)c2Cl)C(=O)C(Cl)=C1C
InChI:1S/C16H14Cl4O4/c1-7-9(17)5-10(18)15(12(7)19)24-11-6-16(22-3,23-4)8(2)13(20)14(11)21/h5-6H,1-4H3
InChIKey:XTILCGCXDPSPCK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:263.643
Molecular Formula:C11H9ClF3NO
SMILES:FC(F)(F)C(=O)N(CC(Cl)=C)c1ccccc1
InChI:1S/C11H9ClF3NO/c1-8(12)7-16(10(17)11(13,14)15)9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKey:NYKQLCKADZQGMT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:279.643
Molecular Formula:C11H9ClF3NO2
SMILES:FC(F)(F)C(=O)N(CC(=O)CCl)c1ccccc1
InChI:1S/C11H9ClF3NO2/c12-6-9(17)7-16(10(18)11(13,14)15)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey:IILDQQXNUSYLPA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:298.089
Molecular Formula:C11H8Cl2F3NO
SMILES:FC(F)(F)C(=O)N(CC(Cl)=C)c1ccc(Cl)cc1
InChI:1S/C11H8Cl2F3NO/c1-7(12)6-17(10(18)11(14,15)16)9-4-2-8(13)3-5-9/h2-5H,1,6H2
InChIKey:KVIMYRSZRIRUKW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:314.088
Molecular Formula:C11H8Cl2F3NO2
SMILES:FC(F)(F)C(=O)N(CC(=O)CCl)c1ccc(Cl)cc1
InChI:1S/C11H8Cl2F3NO2/c12-5-9(18)6-17(10(19)11(14,15)16)8-3-1-7(13)2-4-8/h1-4H,5-6H2
InChIKey:MOYVWIIJNAMQLM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:277.67
Molecular Formula:C12H11ClF3NO
SMILES:Cc1ccc(cc1)N(CC(Cl)=C)C(=O)C(F)(F)F
InChI:1S/C12H11ClF3NO/c1-8-3-5-10(6-4-8)17(7-9(2)13)11(18)12(14,15)16/h3-6H,2,7H2,1H3
InChIKey:POLOUVOJVHOHKQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:293.669
Molecular Formula:C12H11ClF3NO2
SMILES:Cc1ccc(cc1)N(CC(=O)CCl)C(=O)C(F)(F)F
InChI:1S/C12H11ClF3NO2/c1-8-2-4-9(5-3-8)17(7-10(18)6-13)11(19)12(14,15)16/h2-5H,6-7H2,1H3
InChIKey:JWXPVEYHVBDEPA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:308.641
Molecular Formula:C11H8ClF3N2O3
SMILES:[O-][N+](=O)c1cccc(c1)N(CC(Cl)=C)C(=O)C(F)(F)F
InChI:1S/C11H8ClF3N2O3/c1-7(12)6-16(10(18)11(13,14)15)8-3-2-4-9(5-8)17(19)20/h2-5H,1,6H2
InChIKey:KDLRBIHJKQMZJF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:324.64
Molecular Formula:C11H8ClF3N2O4
SMILES:[O-][N+](=O)c1cccc(c1)N(CC(=O)CCl)C(=O)C(F)(F)F
InChI:1S/C11H8ClF3N2O4/c12-5-9(18)6-16(10(19)11(13,14)15)7-2-1-3-8(4-7)17(20)21/h1-4H,5-6H2
InChIKey:UIJJOYMWHUXHGE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:308.641
Molecular Formula:C11H8ClF3N2O3
SMILES:[O-][N+](=O)c1ccc(cc1)N(CC(Cl)=C)C(=O)C(F)(F)F
InChI:1S/C11H8ClF3N2O3/c1-7(12)6-16(10(18)11(13,14)15)8-2-4-9(5-3-8)17(19)20/h2-5H,1,6H2
InChIKey:HGOJMPSCQXZWMI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:324.64
Molecular Formula:C11H8ClF3N2O4
SMILES:[O-][N+](=O)c1ccc(cc1)N(CC(=O)CCl)C(=O)C(F)(F)F
InChI:1S/C11H8ClF3N2O4/c12-5-9(18)6-16(10(19)11(13,14)15)7-1-3-8(4-2-7)17(20)21/h1-4H,5-6H2
InChIKey:LLZCFYOCRIPNFW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:256.298
Molecular Formula:C19H12O
SMILES:O=C1C=Cc2cccc3ccc(-c4ccccc4)c1c23
InChI:1S/C19H12O/c20-17-12-10-15-8-4-7-14-9-11-16(19(17)18(14)15)13-5-2-1-3-6-13/h1-12H
InChIKey:GFMONBJSESZYCV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:272.2974
Molecular Formula:C19H12O2
SMILES:OC1=Cc2cccc3ccc(-c4ccccc4)c(C1=O)c23
InChI:1S/C19H12O2/c20-16-11-14-8-4-7-13-9-10-15(12-5-2-1-3-6-12)18(17(13)14)19(16)21/h1-11,20H
InChIKey:ACJJXELQAJQSLK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:635.201
Molecular Formula:C36H52ClMnN2O2
SMILES:CC(C)(C)C1=CC2=C(O[Mn](Cl)OC3=C(C=C(C=C3C(C)(C)C)C(C)(C)C)\C=N\[C@H]3CCCC[C@@H]3\N=C\2)C(=C1)C(C)(C)C
InChI:1S/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21+,38-22+;;/t29-,30-;;/m0../s1
InChIKey:LJVAWOSDJSQANR-RUIQGICGSA-K
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Compound Information
Drug synonym:Not Available
Molecular Weight:171.1953
Molecular Formula:C11H9NO
SMILES:[O-][N+]1=CC=C(C=C1)C1=CC=CC=C1
InChI:1S/C11H9NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey:VZOPVKZLLGMDDG-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: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:358.3851
Molecular Formula:C20H22O6
SMILES:COc1cc2CC(=O)\C=C\C=C/[C@H]3O[C@@H]3C[C@@H](C)OC(=O)c2c(OC)c1
InChI:1S/C20H22O6/c1-12-8-17-16(26-17)7-5-4-6-14(21)9-13-10-15(23-2)11-18(24-3)19(13)20(22)25-12/h4-7,10-12,16-17H,8-9H2,1-3H3/b6-4+,7-5-/t12-,16-,17-/m1/s1
InChIKey:YOOKPIGRXLTXFP-TYLNLJTHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:392.83
Molecular Formula:C20H21ClO6
SMILES:COc1cc(OC)c2c(CC(=O)\C=C\C=C/[C@H]3O[C@@H]3C[C@@H](C)OC2=O)c1Cl
InChI:1S/C20H21ClO6/c1-11-8-15-14(27-15)7-5-4-6-12(22)9-13-18(20(23)26-11)16(24-2)10-17(25-3)19(13)21/h4-7,10-11,14-15H,8-9H2,1-3H3/b6-4+,7-5-/t11-,14-,15-/m1/s1
InChIKey:IXYWHKVYGVAWAE-FYSXIRJSSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:328.288
Molecular Formula:C16H26BrNO
SMILES:CCCCCC\C=C(\Br)CN1[C@@H](CCC1=O)C(C)=C
InChI:1S/C16H26BrNO/c1-4-5-6-7-8-9-14(17)12-18-15(13(2)3)10-11-16(18)19/h9,15H,2,4-8,10-12H2,1,3H3/b14-9+/t15-/m0/s1
InChIKey:FRBLRBVJFALKDO-HNRFISLBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:362.733
Molecular Formula:C16H25BrClNO
SMILES:CCCCCC\C=C(\Br)CN1[C@@H](CCC1=O)C(=C)CCl
InChI:1S/C16H25BrClNO/c1-3-4-5-6-7-8-14(17)12-19-15(13(2)11-18)9-10-16(19)20/h8,15H,2-7,9-12H2,1H3/b14-8+/t15-/m0/s1
InChIKey:MHXYUBRKAJSMEM-NHXNDTTKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:356.4553
Molecular Formula:C22H28O4
SMILES:COC(=O)C1C(COCc2ccccc2)[C@H]2C(C[C@@H]1[C@H](C)C2=O)C(C)=C
InChI:1S/C22H28O4/c1-13(2)16-10-17-14(3)21(23)19(16)18(20(17)22(24)25-4)12-26-11-15-8-6-5-7-9-15/h5-9,14,16-20H,1,10-12H2,2-4H3/t14-,16?,17+,18?,19+,20?/m0/s1
InChIKey:VQVAHOGBDLONFG-PHQMKEISSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:390.9
Molecular Formula:C22H27ClO4
SMILES:COC(=O)C1C(COCc2ccccc2)[C@H]2C(C[C@@H]1[C@H](C)C2=O)C(=C)CCl
InChI:1S/C22H27ClO4/c1-13(10-23)16-9-17-14(2)21(24)19(16)18(20(17)22(25)26-3)12-27-11-15-7-5-4-6-8-15/h4-8,14,16-20H,1,9-12H2,2-3H3/t14-,16?,17+,18?,19+,20?/m0/s1
InChIKey:MHDNGUJNMDGHHB-PHQMKEISSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.2069
Molecular Formula:C9H14O
SMILES:CC(C)=CC\C=C(/C)C=O
InChI:1S/C9H14O/c1-8(2)5-4-6-9(3)7-10/h5-7H,4H2,1-3H3/b9-6+
InChIKey:VFEUNYPJZDTDLX-RMKNXTFCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:172.652
Molecular Formula:C9H13ClO
SMILES:CC(=C)C(Cl)C\C=C(/C)C=O
InChI:1S/C9H13ClO/c1-7(2)9(10)5-4-8(3)6-11/h4,6,9H,1,5H2,2-3H3/b8-4+
InChIKey:NVWCWTRIILFMAM-XBXARRHUSA-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:136.169
Molecular Formula:HKO4S
SMILES:[K+].OS([O-])(=O)=O
InChI:1S/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1
InChIKey:CHKVPAROMQMJNQ-UHFFFAOYSA-M
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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:196.309
Molecular Formula:AlCl3CrH4Li
SMILES:[Li+].[AlH4-].Cl[Cr](Cl)Cl
InChI:1S/Al.3ClH.Cr.Li.4H/h;3*1H;;;;;;/q-1;;;;+3;+1;;;;/p-3
InChIKey:RQPPSWNMCUJFQE-UHFFFAOYSA-K
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Compound Information
Drug synonym:isopropyl alcohol
Molecular Weight:60.095
Molecular Formula:C3H8O
SMILES:CC(C)O
InChI:1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKey:KFZMGEQAYNKOFK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.217
Molecular Formula:C10H14O2
SMILES:CC(=C)[C@H]1CC(=O)C(C)=C[C@@H]1O
InChI:1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,8,10,12H,1,5H2,2-3H3/t8-,10+/m1/s1
InChIKey:IQBZOAYOGMNFPL-SCZZXKLOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.662
Molecular Formula:C10H13ClO2
SMILES:CC1=C[C@H](O)[C@H](CC1=O)C(=C)CCl
InChI:1S/C10H13ClO2/c1-6-3-10(13)8(4-9(6)12)7(2)5-11/h3,8,10,13H,2,4-5H2,1H3/t8-,10+/m1/s1
InChIKey:ZKGYBYJDHKOARW-SCZZXKLOSA-N
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