Thursday, July 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-furylmethanol
CAS Name: 2-furanylmethanol
IUPAC NAME: furan-2-ylmethanol
SYSTEMATIC NAME: furan-2-ylmethanol
MOLECULAR FORMULA: C5H6O2
MOLECULAR WEIGHT: 98.09994
SMILES: C1=COC(=C1)CO
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Product OPENEYE NAME: furan-2-carbaldehyde
CAS Name: 2-furancarboxaldehyde
IUPAC NAME: furan-2-carbaldehyde
SYSTEMATIC NAME: furan-2-carbaldehyde
MOLECULAR FORMULA: C5H4O2
MOLECULAR WEIGHT: 96.08406
SMILES: C1=COC(=C1)C=O
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Product OPENEYE NAME: 2-furylmethanethiol
CAS Name: 2-furanylmethanethiol
IUPAC NAME: furan-2-ylmethanethiol
SYSTEMATIC NAME: furan-2-ylmethanethiol
MOLECULAR FORMULA: C5H6OS
MOLECULAR WEIGHT: 114.16554
SMILES: C1=COC(=C1)CS
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Product OPENEYE NAME: thiophene-2-carbaldehyde
CAS Name: 2-thiophenecarboxaldehyde
IUPAC NAME: thiophene-2-carbaldehyde
SYSTEMATIC NAME: thiophene-2-carbaldehyde
MOLECULAR FORMULA: C5H4OS
MOLECULAR WEIGHT: 112.14966
SMILES: C1=CSC(=C1)C=O
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Product OPENEYE NAME: phenylarsonic acid
CAS Name: phenylarsonic acid
IUPAC NAME: phenylarsonic acid
SYSTEMATIC NAME: phenylarsonic acid
MOLECULAR FORMULA: C6H7AsO3
MOLECULAR WEIGHT: 202.03958
SMILES: C1=CC=C(C=C1)[As](=O)(O)O
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Product OPENEYE NAME: tert-butylbenzene
CAS Name: tert-butylbenzene
IUPAC NAME: tert-butylbenzene
SYSTEMATIC NAME: tert-butylbenzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CC(C)(C)C1=CC=CC=C1
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Product OPENEYE NAME: trichloromethylbenzene
CAS Name: trichloromethylbenzene
IUPAC NAME: trichloromethylbenzene
SYSTEMATIC NAME: trichloromethylbenzene
MOLECULAR FORMULA: C7H5Cl3
MOLECULAR WEIGHT: 195.4736
SMILES: C1=CC=C(C=C1)C(Cl)(Cl)Cl
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Product OPENEYE NAME: trifluoromethylbenzene
CAS Name: trifluoromethylbenzene
IUPAC NAME: trifluoromethylbenzene
SYSTEMATIC NAME: trifluoromethylbenzene
MOLECULAR FORMULA: C7H5F3
MOLECULAR WEIGHT: 146.10981
SMILES: C1=CC=C(C=C1)C(F)(F)F
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Product OPENEYE NAME: benzenesulfonyl chloride
CAS Name: benzenesulfonyl chloride
IUPAC NAME: benzenesulfonyl chloride
SYSTEMATIC NAME: benzenesulfonyl chloride
MOLECULAR FORMULA: C6H5ClO2S
MOLECULAR WEIGHT: 176.6207
SMILES: C1=CC=C(C=C1)S(=O)(=O)Cl
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Product OPENEYE NAME: benzenesulfonamide
CAS Name: benzenesulfonamide
IUPAC NAME: benzenesulfonamide
SYSTEMATIC NAME: benzenesulfonamide
MOLECULAR FORMULA: C6H7NO2S
MOLECULAR WEIGHT: 157.19028
SMILES: C1=CC=C(C=C1)S(=O)(=O)N
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Product OPENEYE NAME: benzenesulfonic acid
CAS Name: benzenesulfonic acid
IUPAC NAME: benzenesulfonic acid
SYSTEMATIC NAME: benzenesulfonic acid
MOLECULAR FORMULA: C6H6O3S
MOLECULAR WEIGHT: 158.17504
SMILES: C1=CC=C(C=C1)S(=O)(=O)O
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Product OPENEYE NAME: trichloro(phenyl)silane
CAS Name: trichloro(phenyl)silane
IUPAC NAME: trichloro(phenyl)silane
SYSTEMATIC NAME: tris(chloranyl)-phenyl-silane
MOLECULAR FORMULA: C6H5Cl3Si
MOLECULAR WEIGHT: 211.5484
SMILES: C1=CC=C(C=C1)[Si](Cl)(Cl)Cl
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Product OPENEYE NAME: (4-hydroxyphenyl)arsonic acid
CAS Name: (4-hydroxyphenyl)arsonic acid
IUPAC NAME: (4-hydroxyphenyl)arsonic acid
SYSTEMATIC NAME: (4-hydroxyphenyl)arsonic acid
MOLECULAR FORMULA: C6H7AsO4
MOLECULAR WEIGHT: 218.03898
SMILES: C1=CC(=CC=C1O)[As](=O)(O)O
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Product OPENEYE NAME: 1-chloro-3-(trifluoromethyl)benzene
CAS Name: 1-chloro-3-(trifluoromethyl)benzene
IUPAC NAME: 1-chloro-3-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-3-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H4ClF3
MOLECULAR WEIGHT: 180.55487
SMILES: C1=CC(=CC(=C1)Cl)C(F)(F)F
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Product OPENEYE NAME: 3-(trifluoromethyl)aniline
CAS Name: 3-(trifluoromethyl)aniline
IUPAC NAME: 3-(trifluoromethyl)aniline
SYSTEMATIC NAME: 3-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H6F3N
MOLECULAR WEIGHT: 161.12445
SMILES: C1=CC(=CC(=C1)N)C(F)(F)F
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