Friday, April 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2,2-diphenyl-1,3,2-benzodioxasilole
CAS Name: 2,2-diphenyl-1,3,2-benzodioxasilole
IUPAC NAME: 2,2-diphenyl-1,3,2-benzodioxasilole
SYSTEMATIC NAME: 2,2-diphenyl-1,3,2-benzodioxasilole
MOLECULAR FORMULA: C18H14O2Si
MOLECULAR WEIGHT: 290.38806
SMILES: C1=CC=C(C=C1)[Si]2(OC3=CC=CC=C3O2)C4=CC=CC=C4
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Product OPENEYE NAME: methylsulfanylmethanol
CAS Name: (methylthio)methanol
IUPAC NAME: methylsulfanylmethanol
SYSTEMATIC NAME: methylsulfanylmethanol
MOLECULAR FORMULA: C2H6OS
MOLECULAR WEIGHT: 78.13344
SMILES: CSCO
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Product OPENEYE NAME: dimethyl (E)-2-[(E)-trimethylsilyloxyiminomethyl]but-2-enedioate
CAS Name: (E)-2-[(E)-trimethylsilyloxyiminomethyl]-2-butenedioic acid dimethyl ester
IUPAC NAME: dimethyl (E)-2-[(E)-trimethylsilyloxyiminomethyl]but-2-enedioate
SYSTEMATIC NAME: dimethyl (E)-2-[(E)-trimethylsilyloxyiminomethyl]but-2-enedioate
MOLECULAR FORMULA: C10H17NO5Si
MOLECULAR WEIGHT: 259.33118
SMILES: COC(=O)/C=C(\C=N\O[Si](C)(C)C)/C(=O)OC
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Product OPENEYE NAME: dimethyl (E)-2-[(E)-C-methyl-N-trimethylsilyloxy-carbonimidoyl]but-2-enedioate
CAS Name: (E)-2-[(1E)-1-trimethylsilyloxyiminoethyl]-2-butenedioic acid dimethyl ester
IUPAC NAME: dimethyl (E)-2-[(E)-C-methyl-N-trimethylsilyloxycarbonimidoyl]but-2-enedioate
SYSTEMATIC NAME: dimethyl (E)-2-[(E)-C-methyl-N-trimethylsilyloxy-carbonimidoyl]but-2-enedioate
MOLECULAR FORMULA: C11H19NO5Si
MOLECULAR WEIGHT: 273.35776
SMILES: C/C(=N\O[Si](C)(C)C)/C(=C\C(=O)OC)/C(=O)OC
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Product OPENEYE NAME: dimethyl (Z)-2-[(E)-C-phenyl-N-trimethylsilyloxy-carbonimidoyl]but-2-enedioate
CAS Name: (Z)-2-[(E)-phenyl(trimethylsilyloxyimino)methyl]-2-butenedioic acid dimethyl ester
IUPAC NAME: dimethyl (Z)-2-[(E)-C-phenyl-N-trimethylsilyloxycarbonimidoyl]but-2-enedioate
SYSTEMATIC NAME: dimethyl (Z)-2-[(E)-C-phenyl-N-trimethylsilyloxy-carbonimidoyl]but-2-enedioate
MOLECULAR FORMULA: C16H21NO5Si
MOLECULAR WEIGHT: 335.42714
SMILES: COC(=O)/C=C(/C(=N/O[Si](C)(C)C)/C1=CC=CC=C1)\C(=O)OC
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Product OPENEYE NAME: dimethyl (E)-2-[(E)-hydroxyiminomethyl]but-2-enedioate
CAS Name: (E)-2-[(E)-hydroxyiminomethyl]-2-butenedioic acid dimethyl ester
IUPAC NAME: dimethyl (E)-2-[(E)-hydroxyiminomethyl]but-2-enedioate
SYSTEMATIC NAME: dimethyl (E)-2-[(E)-hydroxyiminomethyl]but-2-enedioate
MOLECULAR FORMULA: C7H9NO5
MOLECULAR WEIGHT: 187.15006
SMILES: COC(=O)/C=C(\C=N\O)/C(=O)OC
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Product OPENEYE NAME: dimethyl (Z)-2-[(E)-N-hydroxy-C-methyl-carbonimidoyl]but-2-enedioate
CAS Name: (Z)-2-[(1E)-1-hydroxyiminoethyl]-2-butenedioic acid dimethyl ester
IUPAC NAME: dimethyl (Z)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]but-2-enedioate
SYSTEMATIC NAME: dimethyl (Z)-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]but-2-enedioate
MOLECULAR FORMULA: C8H11NO5
MOLECULAR WEIGHT: 201.17664
SMILES: C/C(=N\O)/C(=C/C(=O)OC)/C(=O)OC
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Product OPENEYE NAME: dimethyl (Z)-2-[(E)-N-hydroxy-C-phenyl-carbonimidoyl]but-2-enedioate
CAS Name: (Z)-2-[(E)-hydroxyimino(phenyl)methyl]-2-butenedioic acid dimethyl ester
IUPAC NAME: dimethyl (Z)-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]but-2-enedioate
SYSTEMATIC NAME: dimethyl (Z)-2-[(E)-N-oxidanyl-C-phenyl-carbonimidoyl]but-2-enedioate
MOLECULAR FORMULA: C13H13NO5
MOLECULAR WEIGHT: 263.24602
SMILES: COC(=O)/C=C(/C(=N/O)/C1=CC=CC=C1)\C(=O)OC
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Product OPENEYE NAME: 3,5-dimethyl-1-(p-tolyl)pyrazole
CAS Name: 3,5-dimethyl-1-(4-methylphenyl)pyrazole
IUPAC NAME: 3,5-dimethyl-1-(4-methylphenyl)pyrazole
SYSTEMATIC NAME: 3,5-dimethyl-1-(4-methylphenyl)pyrazole
MOLECULAR FORMULA: C12H14N2
MOLECULAR WEIGHT: 186.25296
SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C)C
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Product OPENEYE NAME: 1,3,5-trimethylpyrazole-4-carbonyl chloride
CAS Name: 1,3,5-trimethyl-4-pyrazolecarbonyl chloride
IUPAC NAME: 1,3,5-trimethylpyrazole-4-carbonyl chloride
SYSTEMATIC NAME: 1,3,5-trimethylpyrazole-4-carbonyl chloride
MOLECULAR FORMULA: C7H9ClN2O
MOLECULAR WEIGHT: 172.61216
SMILES: CC1=C(C(=NN1C)C)C(=O)Cl
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Product OPENEYE NAME: 1-ethyl-3,5-dimethyl-pyrazole-4-carbonyl chloride
CAS Name: 1-ethyl-3,5-dimethyl-4-pyrazolecarbonyl chloride
IUPAC NAME: 1-ethyl-3,5-dimethylpyrazole-4-carbonyl chloride
SYSTEMATIC NAME: 1-ethyl-3,5-dimethyl-pyrazole-4-carbonyl chloride
MOLECULAR FORMULA: C8H11ClN2O
MOLECULAR WEIGHT: 186.63874
SMILES: CCN1C(=C(C(=N1)C)C(=O)Cl)C
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Product OPENEYE NAME: 1-phenylpyrazole-4-carbonyl chloride
CAS Name: 1-phenyl-4-pyrazolecarbonyl chloride
IUPAC NAME: 1-phenylpyrazole-4-carbonyl chloride
SYSTEMATIC NAME: 1-phenylpyrazole-4-carbonyl chloride
MOLECULAR FORMULA: C10H7ClN2O
MOLECULAR WEIGHT: 206.62838
SMILES: C1=CC=C(C=C1)N2C=C(C=N2)C(=O)Cl
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Product OPENEYE NAME: 3,5-dimethyl-1-(2-nitrophenyl)pyrazole-4-carboxylic acid
CAS Name: 3,5-dimethyl-1-(2-nitrophenyl)-4-pyrazolecarboxylic acid
IUPAC NAME: 3,5-dimethyl-1-(2-nitrophenyl)pyrazole-4-carboxylic acid
SYSTEMATIC NAME: 3,5-dimethyl-1-(2-nitrophenyl)pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C12H11N3O4
MOLECULAR WEIGHT: 261.23344
SMILES: CC1=C(C(=NN1C2=CC=CC=C2[N+](=O)[O-])C)C(=O)O
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Product OPENEYE NAME: methyl 5-ethylfuran-2-carboxylate
CAS Name: 5-ethyl-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-ethylfuran-2-carboxylate
SYSTEMATIC NAME: methyl 5-ethylfuran-2-carboxylate
MOLECULAR FORMULA: C8H10O3
MOLECULAR WEIGHT: 154.1632
SMILES: CCC1=CC=C(O1)C(=O)OC
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Product OPENEYE NAME: 1,1,2-trifluorooctane
CAS Name: 1,1,2-trifluorooctane
IUPAC NAME: 1,1,2-trifluorooctane
SYSTEMATIC NAME: 1,1,2-tris(fluoranyl)octane
MOLECULAR FORMULA: C8H15F3
MOLECULAR WEIGHT: 168.19991
SMILES: CCCCCCC(C(F)F)F
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Product OPENEYE NAME: [6-(acetoxymethyl)cyclohex-3-en-1-yl]methyl acetate
CAS Name: acetic acid [6-(acetyloxymethyl)-1-cyclohex-3-enyl]methyl ester
IUPAC NAME: [6-(acetyloxymethyl)cyclohex-3-en-1-yl]methyl acetate
SYSTEMATIC NAME: [6-(acetyloxymethyl)cyclohex-3-en-1-yl]methyl ethanoate
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: CC(=O)OCC1CC=CCC1COC(=O)C
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Product OPENEYE NAME: [3-(acetoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl acetate
CAS Name: acetic acid [3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl ester
IUPAC NAME: [3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl acetate
SYSTEMATIC NAME: [3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl ethanoate
MOLECULAR FORMULA: C12H16O5
MOLECULAR WEIGHT: 240.25244
SMILES: CC(=O)OCC1C2C=CC(C1COC(=O)C)O2
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Product OPENEYE NAME: [6-(hydroxymethyl)cyclohex-3-en-1-yl]methyl acetate
CAS Name: acetic acid [6-(hydroxymethyl)-1-cyclohex-3-enyl]methyl ester
IUPAC NAME: [6-(hydroxymethyl)cyclohex-3-en-1-yl]methyl acetate
SYSTEMATIC NAME: [6-(hydroxymethyl)cyclohex-3-en-1-yl]methyl ethanoate
MOLECULAR FORMULA: C10H16O3
MOLECULAR WEIGHT: 184.23224
SMILES: CC(=O)OCC1CC=CCC1CO
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Product OPENEYE NAME: tert-butyl N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]carbamate
CAS Name: N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate
MOLECULAR FORMULA: C9H15BrN2O3
MOLECULAR WEIGHT: 279.131
SMILES: CC(C)(C)OC(=O)NCC1CC(=NO1)Br
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