Sunday, July 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(3-hydroxy-5-methyl-1H-tetrazol-2-yl)ethanone
CAS Name: 1-(3-hydroxy-5-methyl-1H-tetrazol-2-yl)ethanone
IUPAC NAME: 1-(3-hydroxy-5-methyl-1H-tetrazol-2-yl)ethanone
SYSTEMATIC NAME: 1-(5-methyl-3-oxidanyl-1H-1,2,3,4-tetrazol-2-yl)ethanone
MOLECULAR FORMULA: C4H8N4O2
MOLECULAR WEIGHT: 144.13192
SMILES: CC1=NN(N(N1)C(=O)C)O
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Product OPENEYE NAME: 2-hydroxy-2-methyl-1-(m-tolyl)propan-1-one
CAS Name: 2-hydroxy-2-methyl-1-(3-methylphenyl)-1-propanone
IUPAC NAME: 2-hydroxy-2-methyl-1-(3-methylphenyl)propan-1-one
SYSTEMATIC NAME: 2-methyl-1-(3-methylphenyl)-2-oxidanyl-propan-1-one
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=CC=CC(=C1)C(=O)C(C)(C)O
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Product OPENEYE NAME: 1-(3-amino-5-methoxy-phenyl)-2-hydroxy-ethanone
CAS Name: 1-(3-amino-5-methoxyphenyl)-2-hydroxyethanone
IUPAC NAME: 1-(3-amino-5-methoxyphenyl)-2-hydroxyethanone
SYSTEMATIC NAME: 1-(3-azanyl-5-methoxy-phenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: COC1=CC(=CC(=C1)N)C(=O)CO
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Product OPENEYE NAME: 1-(3-hydroxy-5-methylsulfonyl-1H-tetrazol-2-yl)ethanone
CAS Name: 1-(3-hydroxy-5-methylsulfonyl-1H-tetrazol-2-yl)ethanone
IUPAC NAME: 1-(3-hydroxy-5-methylsulfonyl-1H-tetrazol-2-yl)ethanone
SYSTEMATIC NAME: 1-(5-methylsulfonyl-3-oxidanyl-1H-1,2,3,4-tetrazol-2-yl)ethanone
MOLECULAR FORMULA: C4H8N4O4S
MOLECULAR WEIGHT: 208.19572
SMILES: CC(=O)N1NC(=NN1O)S(=O)(=O)C
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Product OPENEYE NAME: N-[3-ethyl-5-[(2E)-2-methoxyiminoethyl]-6-oxo-cyclohexa-2,4-dien-1-ylidene]-2,3-dihydro-1H-tetrazole-5-carboxamide
CAS Name: N-[3-ethyl-5-[(2E)-2-methoxyiminoethyl]-6-oxo-1-cyclohexa-2,4-dienylidene]-2,3-dihydro-1H-tetrazole-5-carboxamide
IUPAC NAME: N-[3-ethyl-5-[(2E)-2-methoxyiminoethyl]-6-oxocyclohexa-2,4-dien-1-ylidene]-2,3-dihydro-1H-tetrazole-5-carboxamide
SYSTEMATIC NAME: N-[3-ethyl-5-[(2E)-2-methoxyiminoethyl]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-2,3-dihydro-1H-1,2,3,4-tetrazole-5-carboxamide
MOLECULAR FORMULA: C13H16N6O3
MOLECULAR WEIGHT: 304.30454
SMILES: CCC1=CC(=NC(=O)C2=NNNN2)C(=O)C(=C1)C/C=N/OC
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Product OPENEYE NAME: 3-amino-5-(2-hydroxyacetyl)benzonitrile
CAS Name: 3-amino-5-(2-hydroxy-1-oxoethyl)benzonitrile
IUPAC NAME: 3-amino-5-(2-hydroxyacetyl)benzonitrile
SYSTEMATIC NAME: 3-azanyl-5-(2-oxidanylethanoyl)benzenecarbonitrile
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: C1=C(C=C(C=C1C(=O)CO)N)C#N
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Product OPENEYE NAME: 3-(2-hydroxyacetyl)-5-nitro-benzonitrile
CAS Name: 3-(2-hydroxy-1-oxoethyl)-5-nitrobenzonitrile
IUPAC NAME: 3-(2-hydroxyacetyl)-5-nitrobenzonitrile
SYSTEMATIC NAME: 3-nitro-5-(2-oxidanylethanoyl)benzenecarbonitrile
MOLECULAR FORMULA: C9H6N2O4
MOLECULAR WEIGHT: 206.15494
SMILES: C1=C(C=C(C=C1C(=O)CO)[N+](=O)[O-])C#N
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Product OPENEYE NAME: 2-hydroxy-1-(3-methylsulfonylphenyl)ethanone
CAS Name: 2-hydroxy-1-(3-methylsulfonylphenyl)ethanone
IUPAC NAME: 2-hydroxy-1-(3-methylsulfonylphenyl)ethanone
SYSTEMATIC NAME: 1-(3-methylsulfonylphenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C9H10O4S
MOLECULAR WEIGHT: 214.2383
SMILES: CS(=O)(=O)C1=CC=CC(=C1)C(=O)CO
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Product OPENEYE NAME: 1-(3,5-dinitrophenyl)-2-hydroxy-ethanone
CAS Name: 1-(3,5-dinitrophenyl)-2-hydroxyethanone
IUPAC NAME: 1-(3,5-dinitrophenyl)-2-hydroxyethanone
SYSTEMATIC NAME: 1-(3,5-dinitrophenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C8H6N2O6
MOLECULAR WEIGHT: 226.14304
SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)CO
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