Product OPENEYE NAME: phenyl(2-pyridyl)methanone
CAS Name: phenyl(2-pyridinyl)methanone
IUPAC NAME: phenyl(pyridin-2-yl)methanone
SYSTEMATIC NAME: phenyl(pyridin-2-yl)methanone
MOLECULAR FORMULA: C12H9NO
MOLECULAR WEIGHT: 183.20596
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=N2
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Product OPENEYE NAME: 2,6-bis(hydroxymethyl)-4-methyl-phenol
CAS Name: 2,6-bis(hydroxymethyl)-4-methylphenol
IUPAC NAME: 2,6-bis(hydroxymethyl)-4-methylphenol
SYSTEMATIC NAME: 2,6-bis(hydroxymethyl)-4-methyl-phenol
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: CC1=CC(=C(C(=C1)CO)O)CO
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Product OPENEYE NAME: 1,3-diisocyanato-2-methyl-benzene
CAS Name: 1,3-diisocyanato-2-methylbenzene
IUPAC NAME: 1,3-diisocyanato-2-methylbenzene
SYSTEMATIC NAME: 1,3-diisocyanato-2-methyl-benzene
MOLECULAR FORMULA: C9H6N2O2
MOLECULAR WEIGHT: 174.15614
SMILES: CC1=C(C=CC=C1N=C=O)N=C=O
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Product OPENEYE NAME: 2,6-dimethoxyphenol
CAS Name: 2,6-dimethoxyphenol
IUPAC NAME: 2,6-dimethoxyphenol
SYSTEMATIC NAME: 2,6-dimethoxyphenol
MOLECULAR FORMULA: C8H10O3
MOLECULAR WEIGHT: 154.1632
SMILES: COC1=C(C(=CC=C1)OC)O
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Product OPENEYE NAME: phthalonitrile
CAS Name: benzene-1,2-dicarbonitrile
IUPAC NAME: benzene-1,2-dicarbonitrile
SYSTEMATIC NAME: benzene-1,2-dicarbonitrile
MOLECULAR FORMULA: C8H4N2
MOLECULAR WEIGHT: 128.13076
SMILES: C1=CC=C(C(=C1)C#N)C#N
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Product OPENEYE NAME: 1,2-dimethoxybenzene
CAS Name: 1,2-dimethoxybenzene
IUPAC NAME: 1,2-dimethoxybenzene
SYSTEMATIC NAME: 1,2-dimethoxybenzene
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: COC1=CC=CC=C1OC
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Product OPENEYE NAME: decalin
CAS Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
IUPAC NAME: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SYSTEMATIC NAME: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: C1CCC2CCCCC2C1
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Product OPENEYE NAME: quinoxaline
CAS Name: quinoxaline
IUPAC NAME: quinoxaline
SYSTEMATIC NAME: quinoxaline
MOLECULAR FORMULA: C8H6N2
MOLECULAR WEIGHT: 130.14664
SMILES: C1=CC=C2C(=C1)N=CC=N2
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Product OPENEYE NAME: 1,2,3,4-tetrahydroisoquinoline
CAS Name: 1,2,3,4-tetrahydroisoquinoline
IUPAC NAME: 1,2,3,4-tetrahydroisoquinoline
SYSTEMATIC NAME: 1,2,3,4-tetrahydroisoquinoline
MOLECULAR FORMULA: C9H11N
MOLECULAR WEIGHT: 133.19034
SMILES: C1CNCC2=CC=CC=C21
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Product OPENEYE NAME: quinoline
CAS Name: quinoline
IUPAC NAME: quinoline
SYSTEMATIC NAME: quinoline
MOLECULAR FORMULA: C9H7N
MOLECULAR WEIGHT: 129.15858
SMILES: C1=CC=C2C(=C1)C=CC=N2
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Product OPENEYE NAME: 1-methoxy-2-nitro-benzene
CAS Name: 1-methoxy-2-nitrobenzene
IUPAC NAME: 1-methoxy-2-nitrobenzene
SYSTEMATIC NAME: 1-methoxy-2-nitro-benzene
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: COC1=CC=CC=C1[N+](=O)[O-]
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Product OPENEYE NAME: 2-formylbenzenesulfonic acid
CAS Name: 2-formylbenzenesulfonic acid
IUPAC NAME: 2-formylbenzenesulfonic acid
SYSTEMATIC NAME: 2-methanoylbenzenesulfonic acid
MOLECULAR FORMULA: C7H6O4S
MOLECULAR WEIGHT: 186.18514
SMILES: C1=CC=C(C(=C1)C=O)S(=O)(=O)O
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