Saturday, October 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 8-(2-methylimidazol-1-yl)-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
CAS Name: 8-(2-methyl-1-imidazolyl)-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
IUPAC NAME: 8-(2-methylimidazol-1-yl)-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
SYSTEMATIC NAME: 8-(2-methylimidazol-1-yl)-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
MOLECULAR FORMULA: C12H12N3O2+
MOLECULAR WEIGHT: 230.24258
SMILES: CC1=NC=CN1C2=CC=CC3=C2O[N+](=O)CC3
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Product OPENEYE NAME: 6-(benzimidazol-1-yl)-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
CAS Name: 6-(1-benzimidazolyl)-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
IUPAC NAME: 6-(benzimidazol-1-yl)-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
SYSTEMATIC NAME: 6-(benzimidazol-1-yl)-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
MOLECULAR FORMULA: C15H12N3O2+
MOLECULAR WEIGHT: 266.27468
SMILES: C1C[N+](=O)OC2=C1C=C(C=C2)N3C=NC4=CC=CC=C43
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Product OPENEYE NAME: 4-(2,4-dimethylimidazol-1-yl)-8-methyl-1,4-dihydro-3,1-benzoxazin-2-one
CAS Name: 4-(2,4-dimethyl-1-imidazolyl)-8-methyl-1,4-dihydro-3,1-benzoxazin-2-one
IUPAC NAME: 4-(2,4-dimethylimidazol-1-yl)-8-methyl-1,4-dihydro-3,1-benzoxazin-2-one
SYSTEMATIC NAME: 4-(2,4-dimethylimidazol-1-yl)-8-methyl-1,4-dihydro-3,1-benzoxazin-2-one
MOLECULAR FORMULA: C14H15N3O2
MOLECULAR WEIGHT: 257.2878
SMILES: CC1=CC=CC2=C1NC(=O)OC2N3C=C(N=C3C)C
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Product OPENEYE NAME: 6-imidazol-1-yl-8-methyl-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
CAS Name: 6-(1-imidazolyl)-8-methyl-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
IUPAC NAME: 6-imidazol-1-yl-8-methyl-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
SYSTEMATIC NAME: 6-imidazol-1-yl-8-methyl-3,4-dihydro-1,2-benzoxazin-2-ium 2-oxide
MOLECULAR FORMULA: C12H12N3O2+
MOLECULAR WEIGHT: 230.24258
SMILES: CC1=C2C(=CC(=C1)N3C=CN=C3)CC[N+](=O)O2
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Product OPENEYE NAME: ammonium 2-sulfoethylazanide
CAS Name: ammonium 2-sulfoethylazanide
IUPAC NAME: azanium 2-sulfoethylazanide
SYSTEMATIC NAME: azanium 2-sulfoethylazanide
MOLECULAR FORMULA: C2H10N2O3S
MOLECULAR WEIGHT: 142.1774
SMILES: C(CS(=O)(=O)O)[NH-].[NH4+]
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Product OPENEYE NAME: ammonium sulfomethylazanide
CAS Name: ammonium sulfomethylazanide
IUPAC NAME: azanium sulfomethylazanide
SYSTEMATIC NAME: azanium sulfomethylazanide
MOLECULAR FORMULA: CH8N2O3S
MOLECULAR WEIGHT: 128.15082
SMILES: C([NH-])S(=O)(=O)O.[NH4+]
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Product OPENEYE NAME: ammonium 3-sulfopropylazanide
CAS Name: ammonium 3-sulfopropylazanide
IUPAC NAME: azanium 3-sulfopropylazanide
SYSTEMATIC NAME: azanium 3-sulfopropylazanide
MOLECULAR FORMULA: C3H12N2O3S
MOLECULAR WEIGHT: 156.20398
SMILES: C(C[NH-])CS(=O)(=O)O.[NH4+]
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Product OPENEYE NAME: [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] ester
IUPAC NAME: [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C19H26O7S
MOLECULAR WEIGHT: 398.47054
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C=C(C3C2OC(O3)(C)C)C(C)OCOC
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Product OPENEYE NAME: 4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CAS Name: 4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
IUPAC NAME: 4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
SYSTEMATIC NAME: 4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
MOLECULAR FORMULA: C12H20O5
MOLECULAR WEIGHT: 244.2842
SMILES: CC(C1=CC(C2C1OC(O2)(C)C)O)OCOC
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Product OPENEYE NAME: 4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CAS Name: 4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
IUPAC NAME: 4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
SYSTEMATIC NAME: 4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
MOLECULAR FORMULA: C12H20O5
MOLECULAR WEIGHT: 244.2842
SMILES: CC(C1(C=CC2C1OC(O2)(C)C)O)OCOC
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Product OPENEYE NAME: [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] acetate
CAS Name: acetic acid [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] ester
IUPAC NAME: [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] acetate
SYSTEMATIC NAME: [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] ethanoate
MOLECULAR FORMULA: C14H22O6
MOLECULAR WEIGHT: 286.32088
SMILES: CC(C1=CC(C2C1OC(O2)(C)C)OC(=O)C)OCOC
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Product OPENEYE NAME: [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-yl] acetate
CAS Name: acetic acid [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-yl] ester
IUPAC NAME: [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-yl] acetate
SYSTEMATIC NAME: [4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-yl] ethanoate
MOLECULAR FORMULA: C14H22O6
MOLECULAR WEIGHT: 286.32088
SMILES: CC(C1(C=CC2C1OC(O2)(C)C)OC(=O)C)OCOC
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Product OPENEYE NAME: 1-ethylhexyl 4-methylbenzoate
CAS Name: 4-methylbenzoic acid octan-3-yl ester
IUPAC NAME: octan-3-yl 4-methylbenzoate
SYSTEMATIC NAME: octan-3-yl 4-methylbenzoate
MOLECULAR FORMULA: C16H24O2
MOLECULAR WEIGHT: 248.36056
SMILES: CCCCCC(CC)OC(=O)C1=CC=C(C=C1)C
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Product OPENEYE NAME: ammonia; 2-methylpent-3-yn-2-amine; hydrochloride
CAS Name: ammonia; 2-methyl-3-pentyn-2-amine; hydrochloride
IUPAC NAME: azane; 2-methylpent-3-yn-2-amine; hydrochloride
SYSTEMATIC NAME: azane; 2-methylpent-3-yn-2-amine; hydrochloride
MOLECULAR FORMULA: C6H15ClN2
MOLECULAR WEIGHT: 150.6497
SMILES: CC#CC(C)(C)N.N.Cl
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Product OPENEYE NAME: 5-methyl-3-(2-methylpent-4-enoyl)-4-phenyl-oxazolidin-2-one
CAS Name: 5-methyl-3-(2-methyl-1-oxopent-4-enyl)-4-phenyl-2-oxazolidinone
IUPAC NAME: 5-methyl-3-(2-methylpent-4-enoyl)-4-phenyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-methyl-3-(2-methylpent-4-enoyl)-4-phenyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: CC1C(N(C(=O)O1)C(=O)C(C)CC=C)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-pyrrolidine-1-carboxylic acid
CAS Name: 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-pyrrolidinecarboxylic acid
IUPAC NAME: 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylic acid
SYSTEMATIC NAME: 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-pyrrolidine-1-carboxylic acid
MOLECULAR FORMULA: C12H25NO3Si
MOLECULAR WEIGHT: 259.4173
SMILES: CC1(CCCN1C(=O)O)O[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: 1-but-2-ynyl-4-(dimethylamino)-3-methyl-pyrrolidin-2-one
CAS Name: 1-but-2-ynyl-4-(dimethylamino)-3-methyl-2-pyrrolidinone
IUPAC NAME: 1-but-2-ynyl-4-(dimethylamino)-3-methylpyrrolidin-2-one
SYSTEMATIC NAME: 1-but-2-ynyl-4-(dimethylamino)-3-methyl-pyrrolidin-2-one
MOLECULAR FORMULA: C11H18N2O
MOLECULAR WEIGHT: 194.27342
SMILES: CC#CCN1CC(C(C1=O)C)N(C)C
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Product OPENEYE NAME: 4-[tert-butyl(dimethyl)silyl]oxy-1-but-2-ynyl-3-hydroxy-4-methyl-3-pyrrolidin-1-yl-pyrrolidin-2-one
CAS Name: 4-[tert-butyl(dimethyl)silyl]oxy-1-but-2-ynyl-3-hydroxy-4-methyl-3-(1-pyrrolidinyl)-2-pyrrolidinone
IUPAC NAME: 4-[tert-butyl(dimethyl)silyl]oxy-1-but-2-ynyl-3-hydroxy-4-methyl-3-pyrrolidin-1-ylpyrrolidin-2-one
SYSTEMATIC NAME: 4-[tert-butyl(dimethyl)silyl]oxy-1-but-2-ynyl-4-methyl-3-oxidanyl-3-pyrrolidin-1-yl-pyrrolidin-2-one
MOLECULAR FORMULA: C19H34N2O3Si
MOLECULAR WEIGHT: 366.57036
SMILES: CC#CCN1CC(C(C1=O)(N2CCCC2)O)(C)O[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: tert-butyl-dimethyl-(1-methylpyrrolidin-2-yl)oxy-silane
CAS Name: tert-butyl-dimethyl-[(1-methyl-2-pyrrolidinyl)oxy]silane
IUPAC NAME: tert-butyl-dimethyl-(1-methylpyrrolidin-2-yl)oxysilane
SYSTEMATIC NAME: tert-butyl-dimethyl-(1-methylpyrrolidin-2-yl)oxy-silane
MOLECULAR FORMULA: C11H25NOSi
MOLECULAR WEIGHT: 215.4078
SMILES: CC(C)(C)[Si](C)(C)OC1CCCN1C
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Product OPENEYE NAME: 4-[tert-butyl(dimethyl)silyl]-1-(4-imidazol-1-ylbut-2-ynyl)pyrrolidine-2,3-dione
CAS Name: 4-[tert-butyl(dimethyl)silyl]-1-[4-(1-imidazolyl)but-2-ynyl]pyrrolidine-2,3-dione
IUPAC NAME: 4-[tert-butyl(dimethyl)silyl]-1-(4-imidazol-1-ylbut-2-ynyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[tert-butyl(dimethyl)silyl]-1-(4-imidazol-1-ylbut-2-ynyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C17H25N3O2Si
MOLECULAR WEIGHT: 331.4848
SMILES: CC(C)(C)[Si](C)(C)C1CN(C(=O)C1=O)CC#CCN2C=CN=C2
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