Thursday, August 25, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-carboxyethyl-bis(2-chloroethyl)ammonium chloride
CAS Name: 1-carboxyethyl-bis(2-chloroethyl)ammonium chloride
IUPAC NAME: 1-carboxyethyl-bis(2-chloroethyl)azanium chloride
SYSTEMATIC NAME: bis(2-chloroethyl)-(1-oxidanyl-1-oxidanylidene-propan-2-yl)azanium chloride
MOLECULAR FORMULA: C7H14Cl3NO2
MOLECULAR WEIGHT: 250.55056
SMILES: CC(C(=O)O)[NH+](CCCl)CCCl.[Cl-]
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Product OPENEYE NAME: 2-[bis(2-chloroethyl)amino]propanoic acid
CAS Name: 2-[bis(2-chloroethyl)amino]propanoic acid
IUPAC NAME: 2-[bis(2-chloroethyl)amino]propanoic acid
SYSTEMATIC NAME: 2-[bis(2-chloroethyl)amino]propanoic acid
MOLECULAR FORMULA: C7H13Cl2NO2
MOLECULAR WEIGHT: 214.08962
SMILES: CC(C(=O)O)N(CCCl)CCCl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H45NO11
MOLECULAR WEIGHT: 631.7105
SMILES: CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@](C3OC(=O)C4=CC=CC=C4)([C@H](C1O)OC)O)C56[C@@H]7C(C2[C@H]5N(CC7(C(CC6OC)O)COC)C)OC
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Product OPENEYE NAME: (5-isopropyl-2-methyl-phenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (2-methyl-5-propan-2-ylphenyl) ester
IUPAC NAME: (2-methyl-5-propan-2-ylphenyl) N-methylcarbamate
SYSTEMATIC NAME: (2-methyl-5-propan-2-yl-phenyl) N-methylcarbamate
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC1=C(C=C(C=C1)C(C)C)OC(=O)NC
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Product OPENEYE NAME: (2-chloro-5-isopropyl-phenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (2-chloro-5-propan-2-ylphenyl) ester
IUPAC NAME: (2-chloro-5-propan-2-ylphenyl) N-methylcarbamate
SYSTEMATIC NAME: (2-chloranyl-5-propan-2-yl-phenyl) N-methylcarbamate
MOLECULAR FORMULA: C11H14ClNO2
MOLECULAR WEIGHT: 227.68736
SMILES: CC(C)C1=CC(=C(C=C1)Cl)OC(=O)NC
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Product OPENEYE NAME: butyl diphenyl phosphate
CAS Name: phosphoric acid butyl diphenyl ester
IUPAC NAME: butyl diphenyl phosphate
SYSTEMATIC NAME: butyl diphenyl phosphate
MOLECULAR FORMULA: C16H19O4P
MOLECULAR WEIGHT: 306.293421
SMILES: CCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
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Product OPENEYE NAME: 4-[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]butyl 3,4-dimethoxybenzoate hydrochloride
CAS Name: 3,4-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester hydrochloride
IUPAC NAME: 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride
SYSTEMATIC NAME: 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride
MOLECULAR FORMULA: C25H36ClNO5
MOLECULAR WEIGHT: 466.01004
SMILES: CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26ClNO
MOLECULAR WEIGHT: 331.87954
SMILES: C[NH+](C)CCCC1(C2=CC=CC=C2CCC3=CC=CC=C31)O.[Cl-]
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Product OPENEYE NAME: (4,7,7-trimethylnorbornan-2-yl) propanoate
CAS Name: propanoic acid (4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) ester
IUPAC NAME: (4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate
SYSTEMATIC NAME: (4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CCC(=O)OC1CC2(CCC1C2(C)C)C
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Product OPENEYE NAME: vinyl 2-(1,3-dioxoisoindolin-2-yl)acetate
CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid ethenyl ester
IUPAC NAME: ethenyl 2-(1,3-dioxoisoindol-2-yl)acetate
SYSTEMATIC NAME: ethenyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate
MOLECULAR FORMULA: C12H9NO4
MOLECULAR WEIGHT: 231.20416
SMILES: C=COC(=O)CN1C(=O)C2=CC=CC=C2C1=O
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