Product OPENEYE NAME: (1R,4aR,4bS)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid
CAS Name: (1R,4aR,4bS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid
IUPAC NAME: (1R,4aR,4bS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid
SYSTEMATIC NAME: (1R,4aR,4bS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CC(C)C1=CC[C@H]2C(=C1)CCC3[C@@]2(CCC[C@@]3(C)C(=O)O)C
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Product OPENEYE NAME: 1,2,2,6,6-pentamethylpiperidine
CAS Name: 1,2,2,6,6-pentamethylpiperidine
IUPAC NAME: 1,2,2,6,6-pentamethylpiperidine
SYSTEMATIC NAME: 1,2,2,6,6-pentamethylpiperidine
MOLECULAR FORMULA: C10H21N
MOLECULAR WEIGHT: 1,2,2,6,6-pentamethylpiperidine
SMILES: CC1(CCCC(N1C)(C)C)C
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Product OPENEYE NAME: (4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
CAS Name: (4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
IUPAC NAME: (4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
SYSTEMATIC NAME: (4S,4aR,5S,5aR,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
MOLECULAR FORMULA: C22H24N2O9
MOLECULAR WEIGHT: 460.43396
SMILES: C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C(N)O)C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O
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Product OPENEYE NAME: [2-[(9R,17R)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-[(9R,17R)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[(9R,17R)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(9R,17R)-9,11-bis(chloranyl)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C23H28Cl2O5
MOLECULAR WEIGHT: 455.37142
SMILES: CC(=O)OCC(=O)[C@]1(CCC2C1(CC([C@]3(C2CCC4=CC(=O)C=CC43C)Cl)Cl)C)O
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Product OPENEYE NAME: (3S,5R,10S,13R,14R,17R)-17-(1,5-dimethylhex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: CC(CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
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Product OPENEYE NAME: (6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8R,9S,10R,13S,14S,17S)-6,10,13-trimethyl-17-oxidanyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C23H32O2
MOLECULAR WEIGHT: 340.49898
SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)C)C)O
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Product OPENEYE NAME: 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
CAS Name: 4-(2,5,6,6-tetramethyl-1-cyclohex-2-enyl)-3-buten-2-one
IUPAC NAME: 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
SYSTEMATIC NAME: 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC1CC=C(C(C1(C)C)C=CC(=O)C)C
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Product OPENEYE NAME: 2,5-bis(1,1-dimethylpropyl)benzene-1,4-diol
CAS Name: 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol
IUPAC NAME: 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol
SYSTEMATIC NAME: 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC)O
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Product OPENEYE NAME: 1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one
CAS Name: 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-hepta-1,6-dienone
IUPAC NAME: 1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one
SYSTEMATIC NAME: 1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one
MOLECULAR FORMULA: C16H24O
MOLECULAR WEIGHT: 232.36116
SMILES: CC1=CCCC(C1C=CC(=O)CCC=C)(C)C
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Product OPENEYE NAME: 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid
CAS Name: 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoic acid
IUPAC NAME: 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
SYSTEMATIC NAME: 3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid
MOLECULAR FORMULA: C9H17NO5
MOLECULAR WEIGHT: 219.23498
SMILES: CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O
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Product OPENEYE NAME: 6-[dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonio]hexyl-dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonium dichloride
CAS Name: 6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]ammonio]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]ammonium dichloride
IUPAC NAME: 6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride
SYSTEMATIC NAME: 6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride
MOLECULAR FORMULA: C36H74Cl2N2
MOLECULAR WEIGHT: 605.89216
SMILES: CC1CCCC(C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C.[Cl-].[Cl-]
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Product OPENEYE NAME: 6-[dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonio]hexyl-dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonium
CAS Name: 6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]ammonio]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]ammonium
IUPAC NAME: 6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium
SYSTEMATIC NAME: 6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium
MOLECULAR FORMULA: C36H74N2+2
MOLECULAR WEIGHT: 534.98616
SMILES: CC1CCCC(C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C
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Product OPENEYE NAME: 2,2-dimethyl-3-methylene-norbornane
CAS Name: 3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane
IUPAC NAME: 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3,3-dimethyl-2-methylidene-bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CC1(C2CCC(C2)C1=C)C
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Product OPENEYE NAME: 2-(4-chlorophenyl)-3-methyl-butane-2,3-diol
CAS Name: 2-(4-chlorophenyl)-3-methylbutane-2,3-diol
IUPAC NAME: 2-(4-chlorophenyl)-3-methylbutane-2,3-diol
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-methyl-butane-2,3-diol
MOLECULAR FORMULA: C11H15ClO2
MOLECULAR WEIGHT: 214.6886
SMILES: CC(C)(C(C)(C1=CC=C(C=C1)Cl)O)O
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Product OPENEYE NAME: 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol
CAS Name: 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
IUPAC NAME: 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propan-2-yl]-2,6-bis(bromanyl)phenol
MOLECULAR FORMULA: C15H12Br4O2
MOLECULAR WEIGHT: 543.87058
SMILES: CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br
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Product OPENEYE NAME: 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxy-phenyl)-1-methyl-ethyl]phenol
CAS Name: 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol
IUPAC NAME: 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]propan-2-yl]-2,6-bis(chloranyl)phenol
MOLECULAR FORMULA: C15H12Cl4O2
MOLECULAR WEIGHT: 366.06658
SMILES: CC(C)(C1=CC(=C(C(=C1)Cl)O)Cl)C2=CC(=C(C(=C2)Cl)O)Cl
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Product OPENEYE NAME: 4-[1-(4-hydroxy-3-methyl-phenyl)-1-methyl-ethyl]-2-methyl-phenol
CAS Name: 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
IUPAC NAME: 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SYSTEMATIC NAME: 2-methyl-4-[2-(3-methyl-4-oxidanyl-phenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C17H20O2
MOLECULAR WEIGHT: 256.3395
SMILES: CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-chloro-benzene
CAS Name: 1-(benzenesulfonyl)-4-chlorobenzene
IUPAC NAME: 1-(benzenesulfonyl)-4-chlorobenzene
SYSTEMATIC NAME: 1-chloranyl-4-(phenylsulfonyl)benzene
MOLECULAR FORMULA: C12H9ClO2S
MOLECULAR WEIGHT: 252.71666
SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[4-(4-aminophenyl)sulfonylanilino]ethanol
CAS Name: 2-[4-(4-aminophenyl)sulfonylanilino]ethanol
IUPAC NAME: 2-[4-(4-aminophenyl)sulfonylanilino]ethanol
SYSTEMATIC NAME: 2-[[4-(4-aminophenyl)sulfonylphenyl]amino]ethanol
MOLECULAR FORMULA: C14H16N2O3S
MOLECULAR WEIGHT: 292.35344
SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCCO
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Product OPENEYE NAME: 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
CAS Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
IUPAC NAME: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C15H16O2
MOLECULAR WEIGHT: 228.28634
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
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