Saturday, July 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-benzyl-5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
CAS Name: 5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-1-(phenylmethyl)-2-pyrrolidinone
IUPAC NAME: 1-benzyl-5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
SYSTEMATIC NAME: 5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-1-(phenylmethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C14H15N3O4S
MOLECULAR WEIGHT: 321.3516
SMILES: CS(=O)(=O)C1=NN=C(O1)C2CCC(=O)N2CC3=CC=CC=C3
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Product OPENEYE NAME: (1E,3E)-3-hydroxyimino-2,2-dimethyl-butanal oxime
CAS Name: (1E,3E)-3-hydroxyimino-2,2-dimethylbutanal oxime
IUPAC NAME: (NE)-N-[(4E)-4-hydroxyimino-3,3-dimethylbutan-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(4E)-4-hydroxyimino-3,3-dimethyl-butan-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C6H12N2O2
MOLECULAR WEIGHT: 144.17168
SMILES: C/C(=N\O)/C(C)(C)/C=N/O
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Product OPENEYE NAME: (1E,3E)-3-hydroxyimino-2,2-dimethyl-3-phenyl-propanal oxime
CAS Name: (1E,3E)-3-hydroxyimino-2,2-dimethyl-3-phenylpropanal oxime
IUPAC NAME: (NE)-N-[(3E)-3-hydroxyimino-2,2-dimethyl-1-phenylpropylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(3E)-3-hydroxyimino-2,2-dimethyl-1-phenyl-propylidene]hydroxylamine
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: CC(C)(/C=N/O)/C(=N/O)/C1=CC=CC=C1
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Product OPENEYE NAME: 3,4,4,5-tetramethylisoxazol-5-ol
CAS Name: 3,4,4,5-tetramethyl-5-isoxazolol
IUPAC NAME: 3,4,4,5-tetramethyl-1,2-oxazol-5-ol
SYSTEMATIC NAME: 3,4,4,5-tetramethyl-1,2-oxazol-5-ol
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: CC1=NOC(C1(C)C)(C)O
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Product OPENEYE NAME: 3,4,4-trimethyl-5H-isoxazol-5-ol
CAS Name: 3,4,4-trimethyl-5H-isoxazol-5-ol
IUPAC NAME: 3,4,4-trimethyl-5H-1,2-oxazol-5-ol
SYSTEMATIC NAME: 3,4,4-trimethyl-5H-1,2-oxazol-5-ol
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: CC1=NOC(C1(C)C)O
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Product OPENEYE NAME: 4,4-dimethyl-3-phenyl-5H-isoxazol-5-ol
CAS Name: 4,4-dimethyl-3-phenyl-5H-isoxazol-5-ol
IUPAC NAME: 4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-ol
SYSTEMATIC NAME: 4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-ol
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CC1(C(ON=C1C2=CC=CC=C2)O)C
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Product OPENEYE NAME: (5-acetoxy-3,4,4,5-tetramethyl-2-oxido-1-oxo-pyrazolidin-1-ium-3-yl) acetate
CAS Name: acetic acid (5-acetyloxy-3,4,4,5-tetramethyl-2-oxido-1-oxo-3-pyrazolidin-1-iumyl) ester
IUPAC NAME: (5-acetyloxy-3,4,4,5-tetramethyl-2-oxido-1-oxopyrazolidin-1-ium-3-yl) acetate
SYSTEMATIC NAME: (5-acetyloxy-3,4,4,5-tetramethyl-2-oxidanidyl-1-oxidanylidene-pyrazolidin-1-ium-3-yl) ethanoate
MOLECULAR FORMULA: C11H18N2O6
MOLECULAR WEIGHT: 274.27042
SMILES: CC(=O)OC1(C(C([N+](=O)N1[O-])(C)OC(=O)C)(C)C)C
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Product OPENEYE NAME: 4,4-diethyl-3-methyl-5-methylene-isoxazole
CAS Name: 4,4-diethyl-3-methyl-5-methyleneisoxazole
IUPAC NAME: 4,4-diethyl-3-methyl-5-methylidene-1,2-oxazole
SYSTEMATIC NAME: 4,4-diethyl-3-methyl-5-methylidene-1,2-oxazole
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: CCC1(C(=NOC1=C)C)CC
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Product OPENEYE NAME: 3,4,4-trimethyl-2-oxido-1,2,6-oxadiazin-2-ium
CAS Name: 3,4,4-trimethyl-2-oxido-1,2,6-oxadiazin-2-ium
IUPAC NAME: 3,4,4-trimethyl-2-oxido-1,2,6-oxadiazin-2-ium
SYSTEMATIC NAME: 3,4,4-trimethyl-2-oxidanidyl-1,2,6-oxadiazin-2-ium
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: CC1=[N+](ON=CC1(C)C)[O-]
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Product OPENEYE NAME: 4,4,5-trimethyl-2-oxido-1,2,6-oxadiazin-2-ium
CAS Name: 4,4,5-trimethyl-2-oxido-1,2,6-oxadiazin-2-ium
IUPAC NAME: 4,4,5-trimethyl-2-oxido-1,2,6-oxadiazin-2-ium
SYSTEMATIC NAME: 4,4,5-trimethyl-2-oxidanidyl-1,2,6-oxadiazin-2-ium
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: CC1=NO[N+](=CC1(C)C)[O-]
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Product OPENEYE NAME: (3,4,4-trimethyl-5H-isoxazol-5-yl) acetate
CAS Name: acetic acid (3,4,4-trimethyl-5H-isoxazol-5-yl) ester
IUPAC NAME: (3,4,4-trimethyl-5H-1,2-oxazol-5-yl) acetate
SYSTEMATIC NAME: (3,4,4-trimethyl-5H-1,2-oxazol-5-yl) ethanoate
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: CC1=NOC(C1(C)C)OC(=O)C
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Product OPENEYE NAME: 1-(4-bromo-2-thienyl)ethanone oxime
CAS Name: 1-(4-bromo-2-thiophenyl)ethanone oxime
IUPAC NAME: (NE)-N-[1-(4-bromothiophen-2-yl)ethylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[1-(4-bromanylthiophen-2-yl)ethylidene]hydroxylamine
MOLECULAR FORMULA: C6H6BrNOS
MOLECULAR WEIGHT: 220.08694
SMILES: C/C(=N\O)/C1=CC(=CS1)Br
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