Thursday, July 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: chloro(phenyl)mercury
CAS Name: chloro(phenyl)mercury
IUPAC NAME: chloro(phenyl)mercury
SYSTEMATIC NAME: chloranyl(phenyl)mercury
MOLECULAR FORMULA: C6H5ClHg
MOLECULAR WEIGHT: 313.1469
SMILES: C1=CC=C(C=C1)[Hg]Cl
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Product OPENEYE NAME: phenylmercury hydrate
CAS Name: phenylmercury hydrate
IUPAC NAME: phenylmercury hydrate
SYSTEMATIC NAME: phenylmercury hydrate
MOLECULAR FORMULA: C6H7HgO
MOLECULAR WEIGHT: 295.70918
SMILES: C1=CC=C(C=C1)[Hg].O
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Product OPENEYE NAME: magnesium benzene chloride
CAS Name: magnesium benzene chloride
IUPAC NAME: magnesium benzene chloride
SYSTEMATIC NAME: magnesium benzene chloride
MOLECULAR FORMULA: C6H5ClMg
MOLECULAR WEIGHT: 136.8619
SMILES: C1=CC=[C-]C=C1.[Mg+2].[Cl-]
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Product OPENEYE NAME: N-methylcyclohexanamine
CAS Name: N-methylcyclohexanamine
IUPAC NAME: N-methylcyclohexanamine
SYSTEMATIC NAME: N-methylcyclohexanamine
MOLECULAR FORMULA: C7H15N
MOLECULAR WEIGHT: 113.2007
SMILES: CNC1CCCCC1
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Product OPENEYE NAME: N-methylaniline
CAS Name: N-methylaniline
IUPAC NAME: N-methylaniline
SYSTEMATIC NAME: N-methylaniline
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: CNC1=CC=CC=C1
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Product OPENEYE NAME: phenylhydrazine
CAS Name: phenylhydrazine
IUPAC NAME: phenylhydrazine
SYSTEMATIC NAME: phenyldiazane
MOLECULAR FORMULA: C6H8N2
MOLECULAR WEIGHT: 108.14112
SMILES: C1=CC=C(C=C1)NN
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Product OPENEYE NAME: cyclohexanone oxime
CAS Name: cyclohexanone oxime
IUPAC NAME: N-cyclohexylidenehydroxylamine
SYSTEMATIC NAME: N-cyclohexylidenehydroxylamine
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: C1CCC(=NO)CC1
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Product OPENEYE NAME: N-phenylhydroxylamine
CAS Name: N-phenylhydroxylamine
IUPAC NAME: N-phenylhydroxylamine
SYSTEMATIC NAME: N-phenylhydroxylamine
MOLECULAR FORMULA: C6H7NO
MOLECULAR WEIGHT: 109.12588
SMILES: C1=CC=C(C=C1)NO
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Product OPENEYE NAME: anisole
CAS Name: methoxybenzene
IUPAC NAME: anisole
SYSTEMATIC NAME: methoxybenzene
MOLECULAR FORMULA: C7H8O
MOLECULAR WEIGHT: 108.13782
SMILES: COC1=CC=CC=C1
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Product OPENEYE NAME: methylsulfanylbenzene
CAS Name: (methylthio)benzene
IUPAC NAME: methylsulfanylbenzene
SYSTEMATIC NAME: methylsulfanylbenzene
MOLECULAR FORMULA: C7H8S
MOLECULAR WEIGHT: 124.20342
SMILES: CSC1=CC=CC=C1
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Product OPENEYE NAME: 2-vinylpyridine
CAS Name: 2-ethenylpyridine
IUPAC NAME: 2-ethenylpyridine
SYSTEMATIC NAME: 2-ethenylpyridine
MOLECULAR FORMULA: C7H7N
MOLECULAR WEIGHT: 105.13718
SMILES: C=CC1=CC=CC=N1
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Product OPENEYE NAME: pyridine-2-carbonitrile
CAS Name: 2-pyridinecarbonitrile
IUPAC NAME: pyridine-2-carbonitrile
SYSTEMATIC NAME: pyridine-2-carbonitrile
MOLECULAR FORMULA: C6H4N2
MOLECULAR WEIGHT: 104.10936
SMILES: C1=CC=NC(=C1)C#N
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Product OPENEYE NAME: 2-ethylpyridine
CAS Name: 2-ethylpyridine
IUPAC NAME: 2-ethylpyridine
SYSTEMATIC NAME: 2-ethylpyridine
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: CCC1=CC=CC=N1
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Product OPENEYE NAME: tetrahydropyran-2-ylmethanol
CAS Name: 2-oxanylmethanol
IUPAC NAME: oxan-2-ylmethanol
SYSTEMATIC NAME: oxan-2-ylmethanol
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: C1CCOC(C1)CO
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Product OPENEYE NAME: 4-ethylmorpholine
CAS Name: 4-ethylmorpholine
IUPAC NAME: 4-ethylmorpholine
SYSTEMATIC NAME: 4-ethylmorpholine
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CCN1CCOCC1
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