Friday, October 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: cobaltous formate dihydrate
CAS Name: cobalt(2+) formate dihydrate
IUPAC NAME: cobalt(2+) formate dihydrate
SYSTEMATIC NAME: cobalt(2+) methanoate dihydrate
MOLECULAR FORMULA: CH5CoO4+
MOLECULAR WEIGHT: 139.9812
SMILES: C(=O)[O-].O.O.[Co+2]
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Product OPENEYE NAME: 3-butoxycarbonyl-5-tert-butyl-7-oxabicyclo[4.1.0]heptane-4-carboxylic acid
CAS Name: 3-[butoxy(oxo)methyl]-5-tert-butyl-7-oxabicyclo[4.1.0]heptane-4-carboxylic acid
IUPAC NAME: 3-butoxycarbonyl-5-tert-butyl-7-oxabicyclo[4.1.0]heptane-4-carboxylic acid
SYSTEMATIC NAME: 3-butoxycarbonyl-5-tert-butyl-7-oxabicyclo[4.1.0]heptane-4-carboxylic acid
MOLECULAR FORMULA: C16H26O5
MOLECULAR WEIGHT: 298.37464
SMILES: CCCCOC(=O)C1CC2C(O2)C(C1C(=O)O)C(C)(C)C
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Product OPENEYE NAME: 4-[2,5-diethyl-3,4-bis(4-hydroxyphenyl)-6-methyl-phenyl]phenol
CAS Name: 4-[2,5-diethyl-3,4-bis(4-hydroxyphenyl)-6-methylphenyl]phenol
IUPAC NAME: 4-[2,5-diethyl-3,4-bis(4-hydroxyphenyl)-6-methylphenyl]phenol
SYSTEMATIC NAME: 4-[2,5-diethyl-3,4-bis(4-hydroxyphenyl)-6-methyl-phenyl]phenol
MOLECULAR FORMULA: C29H28O3
MOLECULAR WEIGHT: 424.53082
SMILES: CCC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)CC)C4=CC=C(C=C4)O)C
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Product OPENEYE NAME: 4-tert-butyl-7-oxabicyclo[4.1.0]hept-5-ene-3,4-dicarboxylic acid
CAS Name: 4-tert-butyl-7-oxabicyclo[4.1.0]hept-5-ene-3,4-dicarboxylic acid
IUPAC NAME: 4-tert-butyl-7-oxabicyclo[4.1.0]hept-5-ene-3,4-dicarboxylic acid
SYSTEMATIC NAME: 4-tert-butyl-7-oxabicyclo[4.1.0]hept-5-ene-3,4-dicarboxylic acid
MOLECULAR FORMULA: C12H16O5
MOLECULAR WEIGHT: 240.25244
SMILES: CC(C)(C)C1(C=C2C(O2)CC1C(=O)O)C(=O)O
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Product OPENEYE NAME: 2-[[2-hydroxy-5-(m-tolyl)benzotriazol-2-ium-2-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
CAS Name: 2-[[2-hydroxy-5-(3-methylphenyl)-2-benzotriazol-2-iumyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
IUPAC NAME: 2-[[2-hydroxy-5-(3-methylphenyl)benzotriazol-2-ium-2-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-[[5-(3-methylphenyl)-2-oxidanyl-benzotriazol-2-ium-2-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C22H21N4O3+
MOLECULAR WEIGHT: 389.42714
SMILES: CC1=CC=CC(=C1)C2=CC3=N[N+](N=C3C=C2)(CN4C(=O)C5=C(C4=O)CCCC5)O
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Product OPENEYE NAME: 4-[(3Z)-3-hydroxyiminobutyl]isoindoline-1,3-dione
CAS Name: 4-[(3Z)-3-hydroxyiminobutyl]isoindole-1,3-dione
IUPAC NAME: 4-[(3Z)-3-hydroxyiminobutyl]isoindole-1,3-dione
SYSTEMATIC NAME: 4-[(3Z)-3-hydroxyiminobutyl]isoindole-1,3-dione
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: C/C(=N/O)/CCC1=CC=CC2=C1C(=O)NC2=O
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Product OPENEYE NAME: 2-[(3Z)-3-methoxyiminobutyl]-7H-purin-6-amine
CAS Name: 2-[(3Z)-3-methoxyiminobutyl]-7H-purin-6-amine
IUPAC NAME: 2-[(3Z)-3-methoxyiminobutyl]-7H-purin-6-amine
SYSTEMATIC NAME: 2-[(3Z)-3-methoxyiminobutyl]-7H-purin-6-amine
MOLECULAR FORMULA: C10H14N6O
MOLECULAR WEIGHT: 234.25776
SMILES: C/C(=N/OC)/CCC1=NC2=C(C(=N1)N)NC=N2
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Product OPENEYE NAME: 2-[(2E)-2-methoxyiminoethyl]-7H-purin-6-amine
CAS Name: 2-[(2E)-2-methoxyiminoethyl]-7H-purin-6-amine
IUPAC NAME: 2-[(2E)-2-methoxyiminoethyl]-7H-purin-6-amine
SYSTEMATIC NAME: 2-[(2E)-2-methoxyiminoethyl]-7H-purin-6-amine
MOLECULAR FORMULA: C8H10N6O
MOLECULAR WEIGHT: 206.2046
SMILES: CO/N=C/CC1=NC2=C(C(=N1)N)NC=N2
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Product OPENEYE NAME: 2-[(2E)-2-ethoxyiminopropyl]-7H-purin-6-amine
CAS Name: 2-[(2E)-2-ethoxyiminopropyl]-7H-purin-6-amine
IUPAC NAME: 2-[(2E)-2-ethoxyiminopropyl]-7H-purin-6-amine
SYSTEMATIC NAME: 2-[(2E)-2-ethoxyiminopropyl]-7H-purin-6-amine
MOLECULAR FORMULA: C10H14N6O
MOLECULAR WEIGHT: 234.25776
SMILES: CCO/N=C(\C)/CC1=NC2=C(C(=N1)N)NC=N2
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Product OPENEYE NAME: 4-[(2Z)-2-methoxyiminopropyl]isoindoline-1,3-dione
CAS Name: 4-[(2Z)-2-methoxyiminopropyl]isoindole-1,3-dione
IUPAC NAME: 4-[(2Z)-2-methoxyiminopropyl]isoindole-1,3-dione
SYSTEMATIC NAME: 4-[(2Z)-2-methoxyiminopropyl]isoindole-1,3-dione
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: C/C(=N/OC)/CC1=CC=CC2=C1C(=O)NC2=O
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Product OPENEYE NAME: 2-[(2Z)-2-methoxyiminopropyl]-7H-purin-6-amine
CAS Name: 2-[(2Z)-2-methoxyiminopropyl]-7H-purin-6-amine
IUPAC NAME: 2-[(2Z)-2-methoxyiminopropyl]-7H-purin-6-amine
SYSTEMATIC NAME: 2-[(2Z)-2-methoxyiminopropyl]-7H-purin-6-amine
MOLECULAR FORMULA: C9H12N6O
MOLECULAR WEIGHT: 220.23118
SMILES: C/C(=N/OC)/CC1=NC2=C(C(=N1)N)NC=N2
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Product OPENEYE NAME: 4-[(2E)-2-methoxyiminoethyl]isoindoline-1,3-dione
CAS Name: 4-[(2E)-2-methoxyiminoethyl]isoindole-1,3-dione
IUPAC NAME: 4-[(2E)-2-methoxyiminoethyl]isoindole-1,3-dione
SYSTEMATIC NAME: 4-[(2E)-2-methoxyiminoethyl]isoindole-1,3-dione
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: CO/N=C/CC1=CC=CC2=C1C(=O)NC2=O
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Product OPENEYE NAME: 4-[(3Z)-3-methoxyiminobutyl]isoindoline-1,3-dione
CAS Name: 4-[(3Z)-3-methoxyiminobutyl]isoindole-1,3-dione
IUPAC NAME: 4-[(3Z)-3-methoxyiminobutyl]isoindole-1,3-dione
SYSTEMATIC NAME: 4-[(3Z)-3-methoxyiminobutyl]isoindole-1,3-dione
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: C/C(=N/OC)/CCC1=CC=CC2=C1C(=O)NC2=O
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Product OPENEYE NAME: 2-[(2Z)-2-allyloxyiminopropyl]-7H-purin-6-amine
CAS Name: 2-[(2Z)-2-prop-2-enoxyiminopropyl]-7H-purin-6-amine
IUPAC NAME: 2-[(2Z)-2-prop-2-enoxyiminopropyl]-7H-purin-6-amine
SYSTEMATIC NAME: 2-[(2Z)-2-prop-2-enoxyiminopropyl]-7H-purin-6-amine
MOLECULAR FORMULA: C11H14N6O
MOLECULAR WEIGHT: 246.26846
SMILES: C/C(=N/OCC=C)/CC1=NC2=C(C(=N1)N)NC=N2
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Product OPENEYE NAME: 2,3,5-trimethoxytetrahydrofuran
CAS Name: 2,3,5-trimethoxyoxolane
IUPAC NAME: 2,3,5-trimethoxyoxolane
SYSTEMATIC NAME: 2,3,5-trimethoxyoxolane
MOLECULAR FORMULA: C7H14O4
MOLECULAR WEIGHT: 162.18366
SMILES: COC1CC(OC1OC)OC
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Product OPENEYE NAME: (2,5-dimethoxytetrahydrofuran-3-yl)methyl acetate
CAS Name: acetic acid (2,5-dimethoxy-3-oxolanyl)methyl ester
IUPAC NAME: (2,5-dimethoxyoxolan-3-yl)methyl acetate
SYSTEMATIC NAME: (2,5-dimethoxyoxolan-3-yl)methyl ethanoate
MOLECULAR FORMULA: C9H16O5
MOLECULAR WEIGHT: 204.22034
SMILES: CC(=O)OCC1CC(OC1OC)OC
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Product OPENEYE NAME: tert-butyl-[(2,5-dimethoxytetrahydrofuran-3-yl)methoxy]-diphenyl-silane
CAS Name: tert-butyl-[(2,5-dimethoxy-3-oxolanyl)methoxy]-diphenylsilane
IUPAC NAME: tert-butyl-[(2,5-dimethoxyoxolan-3-yl)methoxy]-diphenylsilane
SYSTEMATIC NAME: tert-butyl-[(2,5-dimethoxyoxolan-3-yl)methoxy]-diphenyl-silane
MOLECULAR FORMULA: C23H32O4Si
MOLECULAR WEIGHT: 400.58328
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3CC(OC3OC)OC
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Product OPENEYE NAME: 1-(3-cyanophenyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
CAS Name: 1-(3-cyanophenyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
IUPAC NAME: 1-(3-cyanophenyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
SYSTEMATIC NAME: 1-(3-cyanophenyl)-1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
MOLECULAR FORMULA: C24H19N5O2
MOLECULAR WEIGHT: 409.43996
SMILES: CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=CC=CC(=C3)C#N)C(=O)N)C4=CC=CC=C4
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Product OPENEYE NAME: N-[(1-methyl-2-nitro-ethyl)carbamoyl]benzamide
CAS Name: N-[(1-nitropropan-2-ylamino)-oxomethyl]benzamide
IUPAC NAME: N-(1-nitropropan-2-ylcarbamoyl)benzamide
SYSTEMATIC NAME: N-(1-nitropropan-2-ylcarbamoyl)benzamide
MOLECULAR FORMULA: C11H13N3O4
MOLECULAR WEIGHT: 251.23862
SMILES: CC(C[N+](=O)[O-])NC(=O)NC(=O)C1=CC=CC=C1
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