Product OPENEYE NAME: 3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
CAS Name: 5,8a-dimethyl-3-(1-methylethenyl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene
IUPAC NAME: 5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
SYSTEMATIC NAME: 5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC1=CCCC2(C1CC(CC2)C(=C)C)C
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Product OPENEYE NAME: 5-(4-aminophenyl)sulfonylthiazol-2-amine
CAS Name: 5-(4-aminophenyl)sulfonyl-2-thiazolamine
IUPAC NAME: 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C9H9N3O2S2
MOLECULAR WEIGHT: 255.31666
SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CN=C(S2)N
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Product OPENEYE NAME: ethyl-(3-hydroxyphenyl)-dimethyl-ammonium hydroxide
CAS Name: ethyl-(3-hydroxyphenyl)-dimethylammonium hydroxide
IUPAC NAME: ethyl-(3-hydroxyphenyl)-dimethylazanium hydroxide
SYSTEMATIC NAME: ethyl-(3-hydroxyphenyl)-dimethyl-azanium hydroxide
MOLECULAR FORMULA: C10H17NO2
MOLECULAR WEIGHT: 183.24748
SMILES: CC[N+](C)(C)C1=CC(=CC=C1)O.[OH-]
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Product OPENEYE NAME: 4-nitro-N-thiazol-2-yl-benzenesulfonamide
CAS Name: 4-nitro-N-(2-thiazolyl)benzenesulfonamide
IUPAC NAME: 4-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C9H7N3O4S2
MOLECULAR WEIGHT: 285.29958
SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=NC=CS2
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Product OPENEYE NAME: 2,6,6-trimethylnorpinan-2-ol
CAS Name: 4,6,6-trimethyl-4-bicyclo[3.1.1]heptanol
IUPAC NAME: 4,6,6-trimethylbicyclo[3.1.1]heptan-4-ol
SYSTEMATIC NAME: 4,6,6-trimethylbicyclo[3.1.1]heptan-4-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC1(C2CCC(C1C2)(C)O)C
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Product OPENEYE NAME: 2,6,6-trimethylnorpinane
CAS Name: 4,6,6-trimethylbicyclo[3.1.1]heptane
IUPAC NAME: 4,6,6-trimethylbicyclo[3.1.1]heptane
SYSTEMATIC NAME: 4,6,6-trimethylbicyclo[3.1.1]heptane
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CC1CCC2CC1C2(C)C
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Product OPENEYE NAME: 2-(3-acetyl-2,2-dimethyl-cyclobutyl)acetic acid
CAS Name: 2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid
IUPAC NAME: 2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid
SYSTEMATIC NAME: 2-(3-ethanoyl-2,2-dimethyl-cyclobutyl)ethanoic acid
MOLECULAR FORMULA: C10H16O3
MOLECULAR WEIGHT: 184.23224
SMILES: CC(=O)C1CC(C1(C)C)CC(=O)O
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Product OPENEYE NAME: 3-(carboxymethyl)-2,2-dimethyl-cyclobutanecarboxylic acid
CAS Name: 3-(carboxymethyl)-2,2-dimethyl-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-(2-hydroxy-2-oxoethyl)-2,2-dimethyl-cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: CC1(C(CC1C(=O)O)CC(=O)O)C
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Product OPENEYE NAME: 2-oxopropanedioic acid
CAS Name: 2-oxopropanedioic acid
IUPAC NAME: 2-oxopropanedioic acid
SYSTEMATIC NAME: 2-oxidanylidenepropanedioic acid
MOLECULAR FORMULA: C3H2O5
MOLECULAR WEIGHT: 118.04498
SMILES: C(=O)(C(=O)O)C(=O)O
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Product OPENEYE NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoic acid
CAS Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoic acid
IUPAC NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(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: C24H40O4
MOLECULAR WEIGHT: 392.572
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
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Product OPENEYE NAME: 10,13-dimethyl-17-[(4R)-1,4,5-trimethylhexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: 17-[(5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: 17-[(5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: 17-[(5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C28H48O
MOLECULAR WEIGHT: 400.68012
SMILES: C[C@H](CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
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Product OPENEYE NAME: 2-[[(6aR,11aS)-9-[(1S)-1-[(2S)-3-hydroxy-5-methyl-2-piperidyl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: 2-[[(6aR,11aS)-9-[(1S)-1-[(2S)-3-hydroxy-5-methyl-2-piperidinyl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: 2-[[(6aR,11aS)-9-[(1S)-1-[(2S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[[(6aR,11aS)-10,11b-dimethyl-9-[(1S)-1-[(2S)-5-methyl-3-oxidanyl-piperidin-2-yl]ethyl]-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C33H49NO7
MOLECULAR WEIGHT: 571.74466
SMILES: CC1CC([C@@H](NC1)[C@@H](C)C2=C(C3=C(C=C2)[C@@H]4CC=C5CC(CCC5([C@H]4C3)C)OC6C(C(C(C(O6)CO)O)O)O)C)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: C[C@]12CCCC(C3[C@@H]1CCC3C2=C)(C)C
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Product OPENEYE NAME: 3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one
CAS Name: 3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c][1]benzopyran-9-one
IUPAC NAME: 3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one
SYSTEMATIC NAME: 3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one
MOLECULAR FORMULA: C16H12O6
MOLECULAR WEIGHT: 300.26288
SMILES: C1C2=CC(=O)C(=CC2=C3C1(COC4=C3C=CC(=C4O)O)O)O
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Product OPENEYE NAME: 1-fluoro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
CAS Name: 1-fluoro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
IUPAC NAME: 1-fluoro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
SYSTEMATIC NAME: 1-fluoranyl-4-[2,2,2-tris(chloranyl)-1-(4-fluorophenyl)ethyl]benzene
MOLECULAR FORMULA: C14H9Cl3F2
MOLECULAR WEIGHT: 321.577066
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)F)C(Cl)(Cl)Cl)F
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Product OPENEYE NAME: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
CAS Name: 2-[[(4R)-1-oxo-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]acetic acid
IUPAC NAME: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C26H43NO6
MOLECULAR WEIGHT: 465.62272
SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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