Friday, August 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(2-ethoxy-2,2-diphenyl-acetyl)oxyethyl-ethyl-pentyl-ammonium chloride
CAS Name: 2-(2-ethoxy-1-oxo-2,2-diphenylethoxy)ethyl-ethyl-pentylammonium chloride
IUPAC NAME: 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-ethyl-pentylazanium chloride
SYSTEMATIC NAME: 2-(2-ethoxy-2,2-diphenyl-ethanoyl)oxyethyl-ethyl-pentyl-azanium chloride
MOLECULAR FORMULA: C25H36ClNO3
MOLECULAR WEIGHT: 434.01124
SMILES: CCCCC[NH+](CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC.[Cl-]
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Product OPENEYE NAME: 2-[ethyl(pentyl)amino]ethyl 2-ethoxy-2,2-diphenyl-acetate
CAS Name: 2-ethoxy-2,2-diphenylacetic acid 2-[ethyl(pentyl)amino]ethyl ester
IUPAC NAME: 2-[ethyl(pentyl)amino]ethyl 2-ethoxy-2,2-diphenylacetate
SYSTEMATIC NAME: 2-[ethyl(pentyl)amino]ethyl 2-ethoxy-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C25H35NO3
MOLECULAR WEIGHT: 397.5503
SMILES: CCCCCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC
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Product OPENEYE NAME: trimethyl-[2-(N-phenylanilino)ethyl]ammonium bromide
CAS Name: trimethyl-[2-(N-phenylanilino)ethyl]ammonium bromide
IUPAC NAME: trimethyl-[2-(N-phenylanilino)ethyl]azanium bromide
SYSTEMATIC NAME: 2-(diphenylamino)ethyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C17H23BrN2
MOLECULAR WEIGHT: 335.28192
SMILES: C[N+](C)(C)CCN(C1=CC=CC=C1)C2=CC=CC=C2.[Br-]
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Product OPENEYE NAME: trimethyl-[2-(N-phenylanilino)ethyl]ammonium
CAS Name: trimethyl-[2-(N-phenylanilino)ethyl]ammonium
IUPAC NAME: trimethyl-[2-(N-phenylanilino)ethyl]azanium
SYSTEMATIC NAME: 2-(diphenylamino)ethyl-trimethyl-azanium
MOLECULAR FORMULA: C17H23N2+
MOLECULAR WEIGHT: 255.37792
SMILES: C[N+](C)(C)CCN(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cycloheptanol
CAS Name: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-1-cycloheptanol
IUPAC NAME: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cycloheptan-1-ol
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cycloheptan-1-ol
MOLECULAR FORMULA: C17H27NO2
MOLECULAR WEIGHT: 277.40178
SMILES: CN(C)CC1CCCCCC1(C2=CC(=CC=C2)OC)O
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Product OPENEYE NAME: dioctyl but-2-enedioate
CAS Name: 2-butenedioic acid dioctyl ester
IUPAC NAME: dioctyl but-2-enedioate
SYSTEMATIC NAME: dioctyl but-2-enedioate
MOLECULAR FORMULA: C20H36O4
MOLECULAR WEIGHT: 340.49744
SMILES: CCCCCCCCOC(=O)C=CC(=O)OCCCCCCCC
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Product OPENEYE NAME: 2-triethylsilylethanol
CAS Name: 2-triethylsilylethanol
IUPAC NAME: 2-triethylsilylethanol
SYSTEMATIC NAME: 2-triethylsilylethanol
MOLECULAR FORMULA: C8H20OSi
MOLECULAR WEIGHT: 160.3293
SMILES: CC[Si](CC)(CC)CCO
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Product OPENEYE NAME: 2-trimethylsilylethanol
CAS Name: 2-trimethylsilylethanol
IUPAC NAME: 2-trimethylsilylethanol
SYSTEMATIC NAME: 2-trimethylsilylethanol
MOLECULAR FORMULA: C5H14OSi
MOLECULAR WEIGHT: 118.24956
SMILES: C[Si](C)(C)CCO
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Product OPENEYE NAME: (2-chloro-5-sec-butyl-phenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (5-butan-2-yl-2-chlorophenyl) ester
IUPAC NAME: (5-butan-2-yl-2-chlorophenyl) N-methylcarbamate
SYSTEMATIC NAME: (5-butan-2-yl-2-chloranyl-phenyl) N-methylcarbamate
MOLECULAR FORMULA: C12H16ClNO2
MOLECULAR WEIGHT: 241.71394
SMILES: CCC(C)C1=CC(=C(C=C1)Cl)OC(=O)NC
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Product OPENEYE NAME: hexadecane-1-thiol
CAS Name: 1-hexadecanethiol
IUPAC NAME: hexadecane-1-thiol
SYSTEMATIC NAME: hexadecane-1-thiol
MOLECULAR FORMULA: C16H34S
MOLECULAR WEIGHT: 258.50616
SMILES: CCCCCCCCCCCCCCCCS
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Product OPENEYE NAME: dibutyl nonanedioate
CAS Name: nonanedioic acid dibutyl ester
IUPAC NAME: dibutyl nonanedioate
SYSTEMATIC NAME: dibutyl nonanedioate
MOLECULAR FORMULA: C17H32O4
MOLECULAR WEIGHT: 300.43358
SMILES: CCCCOC(=O)CCCCCCCC(=O)OCCCC
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Product OPENEYE NAME: 2-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethoxy]ethanesulfonic acid
CAS Name: 2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethanesulfonic acid
IUPAC NAME: 2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethanesulfonic acid
SYSTEMATIC NAME: 2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethanesulfonic acid
MOLECULAR FORMULA: C20H34O6S
MOLECULAR WEIGHT: 402.54536
SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCOCCS(=O)(=O)O
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Product OPENEYE NAME: 4-methylsulfonyloxybut-2-ynyl methanesulfonate
CAS Name: methanesulfonic acid 4-methylsulfonyloxybut-2-ynyl ester
IUPAC NAME: 4-methylsulfonyloxybut-2-ynyl methanesulfonate
SYSTEMATIC NAME: 4-methylsulfonyloxybut-2-ynyl methanesulfonate
MOLECULAR FORMULA: C6H10O6S2
MOLECULAR WEIGHT: 242.27
SMILES: CS(=O)(=O)OCC#CCOS(=O)(=O)C
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Product OPENEYE NAME: (17-acetyl-6,10,13-trimethyl-16-methylene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl) acetate
CAS Name: acetic acid (17-acetyl-6,10,13-trimethyl-16-methylene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl) ester
IUPAC NAME: (17-acetyl-6,10,13-trimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: (17-ethanoyl-6,10,13-trimethyl-16-methylidene-3-oxidanylidene-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl) ethanoate
MOLECULAR FORMULA: C25H32O4
MOLECULAR WEIGHT: 396.51918
SMILES: CC1=CC2C(CCC3(C2CC(=C)C3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
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Product OPENEYE NAME: 4-phenylbenzonitrile
CAS Name: 4-phenylbenzonitrile
IUPAC NAME: 4-phenylbenzonitrile
SYSTEMATIC NAME: 4-phenylbenzenecarbonitrile
MOLECULAR FORMULA: C13H9N
MOLECULAR WEIGHT: 179.21726
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C#N
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Product OPENEYE NAME: 2-aminooxyacetic acid; carboxymethoxyammonium; chloride
CAS Name: 2-aminooxyacetic acid; carboxymethoxyammonium; chloride
IUPAC NAME: 2-aminooxyacetic acid; carboxymethoxyazanium; chloride
SYSTEMATIC NAME: 2-azanyloxyethanoic acid; 2-hydroxy-2-oxoethyloxyazanium; chloride
MOLECULAR FORMULA: C4H11ClN2O6
MOLECULAR WEIGHT: 218.59294
SMILES: C(C(=O)O)O[NH3+].C(C(=O)O)ON.[Cl-]
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Product OPENEYE NAME: 2-chloro-4-methyl-2-thioxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine
CAS Name: 2-chloro-4-methyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphorin
IUPAC NAME: 2-chloro-4-methyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine
SYSTEMATIC NAME: 2-chloranyl-4-methyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine
MOLECULAR FORMULA: C8H14ClO2PS
MOLECULAR WEIGHT: 240.687321
SMILES: CC1C2CCCCC2OP(=S)(O1)Cl
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Product OPENEYE NAME: 2-heptanoyloxyethyl(trimethyl)ammonium iodide
CAS Name: trimethyl-[2-(1-oxoheptoxy)ethyl]ammonium iodide
IUPAC NAME: 2-heptanoyloxyethyl(trimethyl)azanium iodide
SYSTEMATIC NAME: 2-heptanoyloxyethyl(trimethyl)azanium iodide
MOLECULAR FORMULA: C12H26INO2
MOLECULAR WEIGHT: 343.24481
SMILES: CCCCCCC(=O)OCC[N+](C)(C)C.[I-]
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Product OPENEYE NAME: 2-heptanoyloxyethyl(trimethyl)ammonium
CAS Name: trimethyl-[2-(1-oxoheptoxy)ethyl]ammonium
IUPAC NAME: 2-heptanoyloxyethyl(trimethyl)azanium
SYSTEMATIC NAME: 2-heptanoyloxyethyl(trimethyl)azanium
MOLECULAR FORMULA: C12H26NO2+
MOLECULAR WEIGHT: 216.34034
SMILES: CCCCCCC(=O)OCC[N+](C)(C)C
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