Tuesday, August 2, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1,1,2,2-tetrafluoroethane
CAS Name: 1,1,2,2-tetrafluoroethane
IUPAC NAME: 1,1,2,2-tetrafluoroethane
SYSTEMATIC NAME: 1,1,2,2-tetrakis(fluoranyl)ethane
MOLECULAR FORMULA: C2H2F4
MOLECULAR WEIGHT: 102.030893
SMILES: C(C(F)F)(F)F
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Product OPENEYE NAME: oxalyl difluoride
CAS Name: oxalyl difluoride
IUPAC NAME: oxalyl difluoride
SYSTEMATIC NAME: ethanedioyl difluoride
MOLECULAR FORMULA: C2F2O2
MOLECULAR WEIGHT: 94.017006
SMILES: C(=O)(C(=O)F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H27NO
MOLECULAR WEIGHT: 285.42378
SMILES: C[C@@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O
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Product OPENEYE NAME: [3-(4-fluorophenyl)-3-hydroxy-hex-5-enyl]-trimethyl-ammonium iodide
CAS Name: [3-(4-fluorophenyl)-3-hydroxyhex-5-enyl]-trimethylammonium iodide
IUPAC NAME: [3-(4-fluorophenyl)-3-hydroxyhex-5-enyl]-trimethylazanium iodide
SYSTEMATIC NAME: [3-(4-fluorophenyl)-3-oxidanyl-hex-5-enyl]-trimethyl-azanium iodide
MOLECULAR FORMULA: C15H23FINO
MOLECULAR WEIGHT: 379.252093
SMILES: C[N+](C)(C)CCC(CC=C)(C1=CC=C(C=C1)F)O.[I-]
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Product OPENEYE NAME: [3-(4-fluorophenyl)-3-hydroxy-hex-5-enyl]-trimethyl-ammonium
CAS Name: [3-(4-fluorophenyl)-3-hydroxyhex-5-enyl]-trimethylammonium
IUPAC NAME: [3-(4-fluorophenyl)-3-hydroxyhex-5-enyl]-trimethylazanium
SYSTEMATIC NAME: [3-(4-fluorophenyl)-3-oxidanyl-hex-5-enyl]-trimethyl-azanium
MOLECULAR FORMULA: C15H23FNO+
MOLECULAR WEIGHT: 252.347623
SMILES: C[N+](C)(C)CCC(CC=C)(C1=CC=C(C=C1)F)O
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Product OPENEYE NAME: 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
CAS Name: 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)-1-propene
IUPAC NAME: 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
SYSTEMATIC NAME: 1,3,3,3-tetrakis(fluoranyl)-1-methoxy-2-(trifluoromethyl)prop-1-ene
MOLECULAR FORMULA: C5H3F7O
MOLECULAR WEIGHT: 212.065542
SMILES: COC(=C(C(F)(F)F)C(F)(F)F)F
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Product OPENEYE NAME: methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CAS Name: 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid methyl ester
IUPAC NAME: methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
SYSTEMATIC NAME: methyl 3,3,3-tris(fluoranyl)-2-(trifluoromethyl)propanoate
MOLECULAR FORMULA: C5H4F6O2
MOLECULAR WEIGHT: 210.074479
SMILES: COC(=O)C(C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene
CAS Name: 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)-1-propene
IUPAC NAME: 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene
SYSTEMATIC NAME: 1-ethoxy-1,3,3,3-tetrakis(fluoranyl)-2-(trifluoromethyl)prop-1-ene
MOLECULAR FORMULA: C6H5F7O
MOLECULAR WEIGHT: 226.092122
SMILES: CCOC(=C(C(F)(F)F)C(F)(F)F)F
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Product OPENEYE NAME: 2-[4-[(3R,5R,10R,12S,13R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylamino]acetic acid
CAS Name: 2-[4-[(3R,5R,10R,12S,13R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylamino]acetic acid
IUPAC NAME: 2-[4-[(3R,5R,10R,12S,13R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylamino]acetic acid
SYSTEMATIC NAME: 2-[4-[(3R,5R,10R,12S,13R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylamino]ethanoic acid
MOLECULAR FORMULA: C26H45NO4
MOLECULAR WEIGHT: 435.6398
SMILES: CC(CCCNCC(=O)O)C1CCC2[C@@]1([C@H](CC3C2CC[C@H]4[C@]3(CC[C@H](C4)O)C)O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H31NO2
MOLECULAR WEIGHT: 329.47634
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=CON=C5C4)C
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Product OPENEYE NAME: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate
CAS Name: decanoic acid [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate
MOLECULAR FORMULA: C28H44O3
MOLECULAR WEIGHT: 428.64716
SMILES: CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C
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Product OPENEYE NAME: 1,1,1,2,3,4,4,4-octafluorobut-2-ene
CAS Name: 1,1,1,2,3,4,4,4-octafluoro-2-butene
IUPAC NAME: 1,1,1,2,3,4,4,4-octafluorobut-2-ene
SYSTEMATIC NAME: 1,1,1,2,3,4,4,4-octakis(fluoranyl)but-2-ene
MOLECULAR FORMULA: C4F8
MOLECULAR WEIGHT: 200.030026
SMILES: C(=C(C(F)(F)F)F)(C(F)(F)F)F
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Product OPENEYE NAME: 4-amino-1H-imidazole-5-carboxamide
CAS Name: 4-amino-1H-imidazole-5-carboxamide
IUPAC NAME: 4-amino-1H-imidazole-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-1H-imidazole-5-carboxamide
MOLECULAR FORMULA: C4H6N4O
MOLECULAR WEIGHT: 126.11664
SMILES: C1=NC(=C(N1)C(=O)N)N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H27N3O2
MOLECULAR WEIGHT: 353.45798
SMILES: CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C
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