Sunday, July 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: zinc N,N-dibutylcarbamodithioate
CAS Name: zinc N,N-dibutylcarbamodithioate
IUPAC NAME: zinc N,N-dibutylcarbamodithioate
SYSTEMATIC NAME: zinc N,N-dibutylcarbamodithioate
MOLECULAR FORMULA: C18H36N2S4Zn
MOLECULAR WEIGHT: 474.16084
SMILES: CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2]
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Product OPENEYE NAME: dibutylcarbamodithioic acid
CAS Name: dibutylcarbamodithioic acid
IUPAC NAME: dibutylcarbamodithioic acid
SYSTEMATIC NAME: dibutylcarbamodithioic acid
MOLECULAR FORMULA: C9H19NS2
MOLECULAR WEIGHT: 205.38386
SMILES: CCCCN(CCCC)C(=S)S
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Product OPENEYE NAME: 2-(2,4,5-trichlorophenoxy)ethyl 2,2-dichloropropanoate
CAS Name: 2,2-dichloropropanoic acid 2-(2,4,5-trichlorophenoxy)ethyl ester
IUPAC NAME: 2-(2,4,5-trichlorophenoxy)ethyl 2,2-dichloropropanoate
SYSTEMATIC NAME: 2-[2,4,5-tris(chloranyl)phenoxy]ethyl 2,2-bis(chloranyl)propanoate
MOLECULAR FORMULA: C11H9Cl5O3
MOLECULAR WEIGHT: 366.45236
SMILES: CC(C(=O)OCCOC1=CC(=C(C=C1Cl)Cl)Cl)(Cl)Cl
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Product OPENEYE NAME: N-phenylazoaniline
CAS Name: N-phenyldiazenylaniline
IUPAC NAME: N-phenyldiazenylaniline
SYSTEMATIC NAME: N-phenyldiazenylaniline
MOLECULAR FORMULA: C12H11N3
MOLECULAR WEIGHT: 197.23584
SMILES: C1=CC=C(C=C1)NN=NC2=CC=CC=C2
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Product OPENEYE NAME: (3-hydroxyphenyl) benzoate
CAS Name: benzoic acid (3-hydroxyphenyl) ester
IUPAC NAME: (3-hydroxyphenyl) benzoate
SYSTEMATIC NAME: (3-hydroxyphenyl) benzoate
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)O
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Product OPENEYE NAME: 3-phenylazopyridine-2,6-diamine hydrochloride
CAS Name: 3-phenyldiazenylpyridine-2,6-diamine hydrochloride
IUPAC NAME: 3-phenyldiazenylpyridine-2,6-diamine hydrochloride
SYSTEMATIC NAME: 3-phenyldiazenylpyridine-2,6-diamine hydrochloride
MOLECULAR FORMULA: C11H12ClN5
MOLECULAR WEIGHT: 249.69948
SMILES: C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl
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Product OPENEYE NAME: 2,3-dihydroxypropyl 4-aminobenzoate
CAS Name: 4-aminobenzoic acid 2,3-dihydroxypropyl ester
IUPAC NAME: 2,3-dihydroxypropyl 4-aminobenzoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 4-azanylbenzoate
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: C1=CC(=CC=C1C(=O)OCC(CO)O)N
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Product OPENEYE NAME: dipropyl pyridine-2,5-dicarboxylate
CAS Name: pyridine-2,5-dicarboxylic acid dipropyl ester
IUPAC NAME: dipropyl pyridine-2,5-dicarboxylate
SYSTEMATIC NAME: dipropyl pyridine-2,5-dicarboxylate
MOLECULAR FORMULA: C13H17NO4
MOLECULAR WEIGHT: 251.27838
SMILES: CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC
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Product OPENEYE NAME: 2-(diethylamino)ethyl 4-ethoxybenzoate hydrochloride
CAS Name: 4-ethoxybenzoic acid 2-(diethylamino)ethyl ester hydrochloride
IUPAC NAME: 2-(diethylamino)ethyl 4-ethoxybenzoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-ethoxybenzoate hydrochloride
MOLECULAR FORMULA: C15H24ClNO3
MOLECULAR WEIGHT: 301.80896
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)OCC.Cl
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Product OPENEYE NAME: 2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride
CAS Name: 4-(butylamino)benzoic acid 2-(dimethylamino)ethyl ester hydrochloride
IUPAC NAME: 2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride
MOLECULAR FORMULA: C15H25ClN2O2
MOLECULAR WEIGHT: 300.8242
SMILES: CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl
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Product OPENEYE NAME: cobaltous 2-ethylhexanoate
CAS Name: cobalt(2+); 2-ethylhexanoate
IUPAC NAME: cobalt(2+); 2-ethylhexanoate
SYSTEMATIC NAME: cobalt(2+); 2-ethylhexanoate
MOLECULAR FORMULA: C16H30CoO4
MOLECULAR WEIGHT: 345.3402
SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]
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Product OPENEYE NAME: 2-ethylhexanoic acid
CAS Name: 2-ethylhexanoic acid
IUPAC NAME: 2-ethylhexanoic acid
SYSTEMATIC NAME: 2-ethylhexanoic acid
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCCC(CC)C(=O)O
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Product OPENEYE NAME: butyl benzoate
CAS Name: benzoic acid butyl ester
IUPAC NAME: butyl benzoate
SYSTEMATIC NAME: butyl benzoate
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCCCOC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]benzene-1,2-diol hydrochloride
CAS Name: 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol hydrochloride
IUPAC NAME: 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol hydrochloride
SYSTEMATIC NAME: 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,2-diol hydrochloride
MOLECULAR FORMULA: C18H22ClNO5
MOLECULAR WEIGHT: 367.82398
SMILES: CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)O)O.Cl
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Product OPENEYE NAME: 2-(2,4-dichlorophenoxy)ethyl hydrogen sulfate
CAS Name: sulfuric acid 2-(2,4-dichlorophenoxy)ethyl ester
IUPAC NAME: 2-(2,4-dichlorophenoxy)ethyl hydrogen sulfate
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]ethyl hydrogen sulfate
MOLECULAR FORMULA: C8H8Cl2O5S
MOLECULAR WEIGHT: 287.11712
SMILES: C1=CC(=C(C=C1Cl)Cl)OCCOS(=O)(=O)O
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Product OPENEYE NAME: 2-ethoxy-5-nitro-aniline
CAS Name: 2-ethoxy-5-nitroaniline
IUPAC NAME: 2-ethoxy-5-nitroaniline
SYSTEMATIC NAME: 2-ethoxy-5-nitro-aniline
MOLECULAR FORMULA: C8H10N2O3
MOLECULAR WEIGHT: 182.1766
SMILES: CCOC1=C(C=C(C=C1)[N+](=O)[O-])N
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Product OPENEYE NAME: 2-(2-methylanilino)ethanol
CAS Name: 2-(2-methylanilino)ethanol
IUPAC NAME: 2-(2-methylanilino)ethanol
SYSTEMATIC NAME: 2-[(2-methylphenyl)amino]ethanol
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CC1=CC=CC=C1NCCO
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Product OPENEYE NAME: 1,3-bis(hydroxymethyl)imidazolidin-2-one
CAS Name: 1,3-bis(hydroxymethyl)-2-imidazolidinone
IUPAC NAME: 1,3-bis(hydroxymethyl)imidazolidin-2-one
SYSTEMATIC NAME: 1,3-bis(hydroxymethyl)imidazolidin-2-one
MOLECULAR FORMULA: C5H10N2O3
MOLECULAR WEIGHT: 146.1445
SMILES: C1CN(C(=O)N1CO)CO
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Product OPENEYE NAME: 5-methyl-2H-benzotriazole
CAS Name: 5-methyl-2H-benzotriazole
IUPAC NAME: 5-methyl-2H-benzotriazole
SYSTEMATIC NAME: 5-methyl-2H-benzotriazole
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: CC1=CC2=NNN=C2C=C1
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Product OPENEYE NAME: 1,3-benzothiazol-2-amine
CAS Name: 1,3-benzothiazol-2-amine
IUPAC NAME: 1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC=C2C(=C1)N=C(S2)N
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Product OPENEYE NAME: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine dihydrochloride
CAS Name: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine dihydrochloride
IUPAC NAME: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine dihydrochloride
SYSTEMATIC NAME: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine dihydrochloride
MOLECULAR FORMULA: C15H25Cl2N3OS
MOLECULAR WEIGHT: 366.3495
SMILES: CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C.Cl.Cl
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