Friday, August 5, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-amino-3-phenyl-urea
CAS Name: 1-amino-3-phenylurea
IUPAC NAME: 1-amino-3-phenylurea
SYSTEMATIC NAME: 1-azanyl-3-phenyl-urea
MOLECULAR FORMULA: C7H9N3O
MOLECULAR WEIGHT: 151.16586
SMILES: C1=CC=C(C=C1)NC(=O)NN
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Product OPENEYE NAME: 3-(2-methyl-1-piperidyl)propyl 4-(cyclohexoxy)benzoate hydrochloride
CAS Name: 4-cyclohexyloxybenzoic acid 3-(2-methyl-1-piperidinyl)propyl ester hydrochloride
IUPAC NAME: 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate hydrochloride
SYSTEMATIC NAME: 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate hydrochloride
MOLECULAR FORMULA: C22H34ClNO3
MOLECULAR WEIGHT: 395.96326
SMILES: CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC3CCCCC3.Cl
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Product OPENEYE NAME: 3-(2-methyl-1-piperidyl)propyl 4-(cyclohexoxy)benzoate
CAS Name: 4-cyclohexyloxybenzoic acid 3-(2-methyl-1-piperidinyl)propyl ester
IUPAC NAME: 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate
SYSTEMATIC NAME: 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate
MOLECULAR FORMULA: C22H33NO3
MOLECULAR WEIGHT: 359.50232
SMILES: CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC3CCCCC3
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Product OPENEYE NAME: bis-p-tolylmercury
CAS Name: bis(4-methylphenyl)mercury
IUPAC NAME: bis(4-methylphenyl)mercury
SYSTEMATIC NAME: bis(4-methylphenyl)mercury
MOLECULAR FORMULA: C14H14Hg
MOLECULAR WEIGHT: 382.85096
SMILES: CC1=CC=C(C=C1)[Hg]C2=CC=C(C=C2)C
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Product OPENEYE NAME: N4-(4-aminophenyl)benzene-1,4-diamine
CAS Name: N4-(4-aminophenyl)benzene-1,4-diamine
IUPAC NAME: 4-N-(4-aminophenyl)benzene-1,4-diamine
SYSTEMATIC NAME: N4-(4-aminophenyl)benzene-1,4-diamine
MOLECULAR FORMULA: C12H13N3
MOLECULAR WEIGHT: 199.25172
SMILES: C1=CC(=CC=C1N)NC2=CC=C(C=C2)N
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Product OPENEYE NAME: 1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene
CAS Name: 1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene
IUPAC NAME: 1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene
SYSTEMATIC NAME: 1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene
MOLECULAR FORMULA: C12H8N2O4S2
MOLECULAR WEIGHT: 308.33292
SMILES: C1=CC(=CC(=C1)SSC2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: N-(m-tolyl)acetamide
CAS Name: N-(3-methylphenyl)acetamide
IUPAC NAME: N-(3-methylphenyl)acetamide
SYSTEMATIC NAME: N-(3-methylphenyl)ethanamide
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC1=CC(=CC=C1)NC(=O)C
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Product OPENEYE NAME: 2-amino-4-arsoroso-phenol hydrochloride
CAS Name: 2-amino-4-arsorosophenol hydrochloride
IUPAC NAME: 2-amino-4-arsorosophenol hydrochloride
SYSTEMATIC NAME: 4-arsoroso-2-azanyl-phenol hydrochloride
MOLECULAR FORMULA: C6H7AsClNO2
MOLECULAR WEIGHT: 235.49988
SMILES: C1=CC(=C(C=C1[As]=O)N)O.Cl
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Product OPENEYE NAME: 2-amino-4-arsoroso-phenol
CAS Name: 2-amino-4-arsorosophenol
IUPAC NAME: 2-amino-4-arsorosophenol
SYSTEMATIC NAME: 4-arsoroso-2-azanyl-phenol
MOLECULAR FORMULA: C6H6AsNO2
MOLECULAR WEIGHT: 199.03894
SMILES: C1=CC(=C(C=C1[As]=O)N)O
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Product OPENEYE NAME: (3-chloro-4-hydroxy-phenyl)mercury hydrate
CAS Name: (3-chloro-4-hydroxyphenyl)mercury hydrate
IUPAC NAME: (3-chloro-4-hydroxyphenyl)mercury hydrate
SYSTEMATIC NAME: (3-chloranyl-4-oxidanyl-phenyl)mercury hydrate
MOLECULAR FORMULA: C6H6ClHgO2
MOLECULAR WEIGHT: 346.15364
SMILES: C1=CC(=C(C=C1[Hg])Cl)O.O
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Product OPENEYE NAME: (3-chloro-4-hydroxy-phenyl)mercury
CAS Name: (3-chloro-4-hydroxyphenyl)mercury
IUPAC NAME: (3-chloro-4-hydroxyphenyl)mercury
SYSTEMATIC NAME: (3-chloranyl-4-oxidanyl-phenyl)mercury
MOLECULAR FORMULA: C6H4ClHgO
MOLECULAR WEIGHT: 328.13836
SMILES: C1=CC(=C(C=C1[Hg])Cl)O
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Product OPENEYE NAME: 2-chloro-N-(2-chloroethyl)-N-ethyl-ethanamine
CAS Name: 2-chloro-N-(2-chloroethyl)-N-ethylethanamine
IUPAC NAME: 2-chloro-N-(2-chloroethyl)-N-ethylethanamine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-ethyl-ethanamine
MOLECULAR FORMULA: C6H13Cl2N
MOLECULAR WEIGHT: 170.08012
SMILES: CCN(CCCl)CCCl
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Product OPENEYE NAME: diallylcyanamide
CAS Name: bis(prop-2-enyl)cyanamide
IUPAC NAME: bis(prop-2-enyl)cyanamide
SYSTEMATIC NAME: bis(prop-2-enyl)cyanamide
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: C=CCN(CC=C)C#N
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Product OPENEYE NAME: 2,3-di(octanoyloxy)propyl octanoate
CAS Name: octanoic acid 2,3-bis(1-oxooctoxy)propyl ester
IUPAC NAME: 2,3-di(octanoyloxy)propyl octanoate
SYSTEMATIC NAME: 2,3-di(octanoyloxy)propyl octanoate
MOLECULAR FORMULA: C27H50O6
MOLECULAR WEIGHT: 470.6823
SMILES: CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
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Product OPENEYE NAME: 2,3-di(dodecanoyloxy)propyl dodecanoate
CAS Name: dodecanoic acid 2,3-bis(1-oxododecoxy)propyl ester
IUPAC NAME: 2,3-di(dodecanoyloxy)propyl dodecanoate
SYSTEMATIC NAME: 2,3-di(dodecanoyloxy)propyl dodecanoate
MOLECULAR FORMULA: C39H74O6
MOLECULAR WEIGHT: 639.00126
SMILES: CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
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Product OPENEYE NAME: 2-benzylisothiourea hydrochloride
CAS Name: carbamimidothioic acid (phenylmethyl) ester hydrochloride
IUPAC NAME: benzyl carbamimidothioate hydrochloride
SYSTEMATIC NAME: (phenylmethyl) carbamimidothioate hydrochloride
MOLECULAR FORMULA: C8H11ClN2S
MOLECULAR WEIGHT: 202.70434
SMILES: C1=CC=C(C=C1)CSC(=N)N.Cl
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Product OPENEYE NAME: benzylurea
CAS Name: (phenylmethyl)urea
IUPAC NAME: benzylurea
SYSTEMATIC NAME: 1-(phenylmethyl)urea
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: C1=CC=C(C=C1)CNC(=O)N
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Product OPENEYE NAME: 1-methyl-4-[2-(p-tolyl)ethyl]benzene
CAS Name: 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene
IUPAC NAME: 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene
MOLECULAR FORMULA: C16H18
MOLECULAR WEIGHT: 210.31412
SMILES: CC1=CC=C(C=C1)CCC2=CC=C(C=C2)C
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Product OPENEYE NAME: 4-(4-aminophenyl)azoaniline
CAS Name: 4-(4-aminophenyl)azoaniline
IUPAC NAME: 4-[(4-aminophenyl)diazenyl]aniline
SYSTEMATIC NAME: 4-[(4-aminophenyl)diazenyl]aniline
MOLECULAR FORMULA: C12H12N4
MOLECULAR WEIGHT: 212.25048
SMILES: C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N
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Product OPENEYE NAME: 3-phenoxypropane-1,2-diol
CAS Name: 3-phenoxypropane-1,2-diol
IUPAC NAME: 3-phenoxypropane-1,2-diol
SYSTEMATIC NAME: 3-phenoxypropane-1,2-diol
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: C1=CC=C(C=C1)OCC(CO)O
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Product OPENEYE NAME: N,1-diphenylmethanimine
CAS Name: N,1-diphenylmethanimine
IUPAC NAME: N,1-diphenylmethanimine
SYSTEMATIC NAME: N,1-diphenylmethanimine
MOLECULAR FORMULA: C13H11N
MOLECULAR WEIGHT: 181.23314
SMILES: C1=CC=C(C=C1)C=NC2=CC=CC=C2
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Product OPENEYE NAME: 2-cyclohexyl-N-(2-cyclohexylethyl)-N-methyl-ethanamine
CAS Name: 2-cyclohexyl-N-(2-cyclohexylethyl)-N-methylethanamine
IUPAC NAME: 2-cyclohexyl-N-(2-cyclohexylethyl)-N-methylethanamine
SYSTEMATIC NAME: 2-cyclohexyl-N-(2-cyclohexylethyl)-N-methyl-ethanamine
MOLECULAR FORMULA: C17H33N
MOLECULAR WEIGHT: 251.45062
SMILES: CN(CCC1CCCCC1)CCC2CCCCC2
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Product OPENEYE NAME: 1-anilino-3-phenylimino-urea
CAS Name: 1-anilino-3-phenyliminourea
IUPAC NAME: 1-anilino-3-phenyliminourea
SYSTEMATIC NAME: 1-phenylazanyl-3-phenylimino-urea
MOLECULAR FORMULA: C13H12N4O
MOLECULAR WEIGHT: 240.26058
SMILES: C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2
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Product OPENEYE NAME: butyl 3-phenylprop-2-enoate
CAS Name: 3-phenyl-2-propenoic acid butyl ester
IUPAC NAME: butyl 3-phenylprop-2-enoate
SYSTEMATIC NAME: butyl 3-phenylprop-2-enoate
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CCCCOC(=O)C=CC1=CC=CC=C1
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