Product OPENEYE NAME: N,N-dimethylcarbamoyl fluoride
CAS Name: N,N-dimethylcarbamoyl fluoride
IUPAC NAME: N,N-dimethylcarbamoyl fluoride
SYSTEMATIC NAME: N,N-dimethylcarbamoyl fluoride
MOLECULAR FORMULA: C3H6FNO
MOLECULAR WEIGHT: 91.084243
SMILES: CN(C)C(=O)F
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Product OPENEYE NAME: 2,2,2-trifluoro-1-methoxy-ethanol
CAS Name: 2,2,2-trifluoro-1-methoxyethanol
IUPAC NAME: 2,2,2-trifluoro-1-methoxyethanol
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-1-methoxy-ethanol
MOLECULAR FORMULA: C3H5F3O2
MOLECULAR WEIGHT: 130.06581
SMILES: COC(C(F)(F)F)O
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Product OPENEYE NAME: methyl 2,2,2-trifluoroacetate
CAS Name: 2,2,2-trifluoroacetic acid methyl ester
IUPAC NAME: methyl 2,2,2-trifluoroacetate
SYSTEMATIC NAME: methyl 2,2,2-tris(fluoranyl)ethanoate
MOLECULAR FORMULA: C3H3F3O2
MOLECULAR WEIGHT: 128.04993
SMILES: COC(=O)C(F)(F)F
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Product OPENEYE NAME: 2-chloro-1,1,1,3,3,3-hexafluoro-propane
CAS Name: 2-chloro-1,1,1,3,3,3-hexafluoropropane
IUPAC NAME: 2-chloro-1,1,1,3,3,3-hexafluoropropane
SYSTEMATIC NAME: 2-chloranyl-1,1,1,3,3,3-hexakis(fluoranyl)propane
MOLECULAR FORMULA: C3HClF6
MOLECULAR WEIGHT: 186.483459
SMILES: C(C(F)(F)F)(C(F)(F)F)Cl
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Product OPENEYE NAME: 2,6,6-trimethylcyclohexene-1-carbaldehyde
CAS Name: 2,6,6-trimethyl-1-cyclohexenecarboxaldehyde
IUPAC NAME: 2,6,6-trimethylcyclohexene-1-carbaldehyde
SYSTEMATIC NAME: 2,6,6-trimethylcyclohexene-1-carbaldehyde
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC1=C(C(CCC1)(C)C)C=O
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Product OPENEYE NAME: (17R)-17-allyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CAS Name: (17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
IUPAC NAME: (17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C21H32O
MOLECULAR WEIGHT: 300.47818
SMILES: CC12CCC3C(C1CC[C@]2(CC=C)O)CCC4=CCCCC34
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Product OPENEYE NAME: 1-ethoxy-2,2,2-trifluoro-ethanol
CAS Name: 1-ethoxy-2,2,2-trifluoroethanol
IUPAC NAME: 1-ethoxy-2,2,2-trifluoroethanol
SYSTEMATIC NAME: 1-ethoxy-2,2,2-tris(fluoranyl)ethanol
MOLECULAR FORMULA: C4H7F3O2
MOLECULAR WEIGHT: 144.09239
SMILES: CCOC(C(F)(F)F)O
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Product OPENEYE NAME: 2-fluorobutanoic acid
CAS Name: 2-fluorobutanoic acid
IUPAC NAME: 2-fluorobutanoic acid
SYSTEMATIC NAME: 2-fluoranylbutanoic acid
MOLECULAR FORMULA: C4H7FO2
MOLECULAR WEIGHT: 106.095583
SMILES: CCC(C(=O)O)F
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Product OPENEYE NAME: 2-(trifluoromethyl)benzoic acid
CAS Name: 2-(trifluoromethyl)benzoic acid
IUPAC NAME: 2-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 2-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C8H5F3O2
MOLECULAR WEIGHT: 190.11931
SMILES: C1=CC=C(C(=C1)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: 17-(2-fluoroacetyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: 17-(2-fluoro-1-oxoethyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: 17-(2-fluoroacetyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 17-(2-fluoranylethanoyl)-10,13-dimethyl-11,17-bis(oxidanyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H29FO4
MOLECULAR WEIGHT: 364.450963
SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CF)O)C)O
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Product OPENEYE NAME: (17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (17R)-17-ethynyl-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CC[C@]4(C#C)O)C
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Product OPENEYE NAME: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-17-oxidanyl-2-(oxidanylmethylidene)-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC(=CO)C(=O)C4)C
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Product OPENEYE NAME: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC NAME: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H40O3
MOLECULAR WEIGHT: 376.5726
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
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Product OPENEYE NAME: (8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C18H26O2
MOLECULAR WEIGHT: 274.39784
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34
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Product OPENEYE NAME: 2,2,2-trifluoro-1-phenyl-ethanone
CAS Name: 2,2,2-trifluoro-1-phenylethanone
IUPAC NAME: 2,2,2-trifluoro-1-phenylethanone
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-1-phenyl-ethanone
MOLECULAR FORMULA: C8H5F3O
MOLECULAR WEIGHT: 174.11991
SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
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Product OPENEYE NAME: 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
CAS Name: 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
IUPAC NAME: 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(fluoranyl)-6-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7F8
MOLECULAR WEIGHT: 236.062126
SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(F)(F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H20
MOLECULAR WEIGHT: 476.5654
SMILES: C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C6=C(C7=CC=CC8=C7C9=C(C=CC=C96)C=C8)C1=CC=CC(=C15)C=C4
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