Product OPENEYE NAME: benzene-1,2,3,5-tetracarboxylic acid
CAS Name: benzene-1,2,3,5-tetracarboxylic acid
IUPAC NAME: benzene-1,2,3,5-tetracarboxylic acid
SYSTEMATIC NAME: benzene-1,2,3,5-tetracarboxylic acid
MOLECULAR FORMULA: C10H6O8
MOLECULAR WEIGHT: 254.14984
SMILES: C1=C(C=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
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Product OPENEYE NAME: 1-[2-(diethylamino)ethylamino]-4-methyl-thioxanthen-9-one
CAS Name: 1-[2-(diethylamino)ethylamino]-4-methyl-9-thioxanthenone
IUPAC NAME: 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one
SYSTEMATIC NAME: 1-[2-(diethylamino)ethylamino]-4-methyl-thioxanthen-9-one
MOLECULAR FORMULA: C20H24N2OS
MOLECULAR WEIGHT: 340.48236
SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O
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Product OPENEYE NAME: benzo[a]fluoren-11-one
CAS Name: 11-benzo[a]fluorenone
IUPAC NAME: benzo[a]fluoren-11-one
SYSTEMATIC NAME: benzo[a]fluoren-11-one
MOLECULAR FORMULA: C17H10O
MOLECULAR WEIGHT: 230.2607
SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C34
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Product OPENEYE NAME: (2R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one
CAS Name: (2R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: (2R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2R)-2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C15H12O7
MOLECULAR WEIGHT: 304.25158
SMILES: C1=CC(=C(C=C1[C@@H]2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
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Product OPENEYE NAME: anthracene-1,8,9-triol
CAS Name: anthracene-1,8,9-triol
IUPAC NAME: anthracene-1,8,9-triol
SYSTEMATIC NAME: anthracene-1,8,9-triol
MOLECULAR FORMULA: C14H10O3
MOLECULAR WEIGHT: 226.2274
SMILES: C1=CC2=CC3=C(C(=CC=C3)O)C(=C2C(=C1)O)O
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Product OPENEYE NAME: 1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,2-trichloroethane-1,1-diol
CAS Name: 1,5-dimethyl-2-phenyl-3-pyrazolone; 2,2,2-trichloroethane-1,1-diol
IUPAC NAME: 1,5-dimethyl-2-phenylpyrazol-3-one; 2,2,2-trichloroethane-1,1-diol
SYSTEMATIC NAME: 1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,2-tris(chloranyl)ethane-1,1-diol
MOLECULAR FORMULA: C15H18Cl6N2O5
MOLECULAR WEIGHT: 519.03182
SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O
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Product OPENEYE NAME: 5-hydroxy-7-methoxy-2-methyl-chromen-4-one
CAS Name: 5-hydroxy-7-methoxy-2-methyl-1-benzopyran-4-one
IUPAC NAME: 5-hydroxy-7-methoxy-2-methylchromen-4-one
SYSTEMATIC NAME: 7-methoxy-2-methyl-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: CC1=CC(=O)C2=C(C=C(C=C2O1)OC)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25NO6
MOLECULAR WEIGHT: 351.3942
SMILES: CC=C1C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C
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Product OPENEYE NAME: 2,4,6-trimethylbenzoic acid
CAS Name: 2,4,6-trimethylbenzoic acid
IUPAC NAME: 2,4,6-trimethylbenzoic acid
SYSTEMATIC NAME: 2,4,6-trimethylbenzoic acid
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC1=CC(=C(C(=C1)C)C(=O)O)C
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Product OPENEYE NAME: 5-nitrohexahydropyrimidine-2,4,6-trione
CAS Name: 5-nitro-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-nitro-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-nitro-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C4H3N3O5
MOLECULAR WEIGHT: 173.08372
SMILES: C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-]
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Product OPENEYE NAME:
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23NO5
MOLECULAR WEIGHT: 333.37892
SMILES: CC=C1CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O
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Product OPENEYE NAME: [(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate
CAS Name: 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoic acid [(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
IUPAC NAME: [(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
SYSTEMATIC NAME: [(7S,8S)-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-methyl-2-oxidanyl-2-[(1S)-1-oxidanylethyl]butanoate
MOLECULAR FORMULA: C15H25NO5
MOLECULAR WEIGHT: 299.3627
SMILES: C[C@@H](C(C(C)C)(C(=O)OCC1=CCN2[C@@H]1[C@H](CC2)O)O)O
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Product OPENEYE NAME: (1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
CAS Name: (1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
IUPAC NAME: (1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
SYSTEMATIC NAME: (1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: C1CN2CC=C([C@@H]2[C@@H]1O)CO
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Product OPENEYE NAME: isoindolin-1-one
CAS Name: 2,3-dihydroisoindol-1-one
IUPAC NAME: 2,3-dihydroisoindol-1-one
SYSTEMATIC NAME: 2,3-dihydroisoindol-1-one
MOLECULAR FORMULA: C8H7NO
MOLECULAR WEIGHT: 133.14728
SMILES: C1C2=CC=CC=C2C(=O)N1
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Product OPENEYE NAME: 1H-indole-3-thiol
CAS Name: 1H-indole-3-thiol
IUPAC NAME: 1H-indole-3-thiol
SYSTEMATIC NAME: 1H-indole-3-thiol
MOLECULAR FORMULA: C8H7NS
MOLECULAR WEIGHT: 149.21288
SMILES: C1=CC=C2C(=C1)C(=CN2)S
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Product OPENEYE NAME: (3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
CAS Name: (3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
IUPAC NAME: (3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
SYSTEMATIC NAME: (3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: CC1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C
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