Monday, August 8, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(2-chlorophenoxy)acetic acid
CAS Name: 2-(2-chlorophenoxy)acetic acid
IUPAC NAME: 2-(2-chlorophenoxy)acetic acid
SYSTEMATIC NAME: 2-(2-chloranylphenoxy)ethanoic acid
MOLECULAR FORMULA: C8H7ClO3
MOLECULAR WEIGHT: 186.59238
SMILES: C1=CC=C(C(=C1)OCC(=O)O)Cl
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Product OPENEYE NAME: 2-(2-hydroxyphenyl)acetic acid
CAS Name: 2-(2-hydroxyphenyl)acetic acid
IUPAC NAME: 2-(2-hydroxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(2-hydroxyphenyl)ethanoic acid
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: C1=CC=C(C(=C1)CC(=O)O)O
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Product OPENEYE NAME: N-(2-hydroxyphenyl)acetamide
CAS Name: N-(2-hydroxyphenyl)acetamide
IUPAC NAME: N-(2-hydroxyphenyl)acetamide
SYSTEMATIC NAME: N-(2-hydroxyphenyl)ethanamide
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: CC(=O)NC1=CC=CC=C1O
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Product OPENEYE NAME: 3-bromo-4-[3-(2-bromo-4-carbamimidoyl-phenoxy)propoxy]benzamidine; 2-hydroxyethanesulfonic acid
CAS Name: 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
IUPAC NAME: 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
SYSTEMATIC NAME: 3-bromanyl-4-[3-(2-bromanyl-4-carbamimidoyl-phenoxy)propoxy]benzenecarboximidamide; 2-oxidanylethanesulfonic acid
MOLECULAR FORMULA: C19H24Br2N4O6S
MOLECULAR WEIGHT: 596.29006
SMILES: C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br.C(CS(=O)(=O)O)O
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Product OPENEYE NAME: 3-bromo-4-[3-(2-bromo-4-carbamimidoyl-phenoxy)propoxy]benzamidine
CAS Name: 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide
IUPAC NAME: 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide
SYSTEMATIC NAME: 3-bromanyl-4-[3-(2-bromanyl-4-carbamimidoyl-phenoxy)propoxy]benzenecarboximidamide
MOLECULAR FORMULA: C17H18Br2N4O2
MOLECULAR WEIGHT: 470.15842
SMILES: C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br
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Product OPENEYE NAME: 4-methoxybenzene-1,3-diamine dihydrochloride
CAS Name: 4-methoxybenzene-1,3-diamine dihydrochloride
IUPAC NAME: 4-methoxybenzene-1,3-diamine dihydrochloride
SYSTEMATIC NAME: 4-methoxybenzene-1,3-diamine dihydrochloride
MOLECULAR FORMULA: C7H12Cl2N2O
MOLECULAR WEIGHT: 211.08898
SMILES: COC1=C(C=C(C=C1)N)N.Cl.Cl
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Product OPENEYE NAME: 4-methoxybenzene-1,3-diamine
CAS Name: 4-methoxybenzene-1,3-diamine
IUPAC NAME: 4-methoxybenzene-1,3-diamine
SYSTEMATIC NAME: 4-methoxybenzene-1,3-diamine
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: COC1=C(C=C(C=C1)N)N
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Product OPENEYE NAME: ethyl N-ethyl-N-nitroso-carbamate
CAS Name: N-ethyl-N-nitrosocarbamic acid ethyl ester
IUPAC NAME: ethyl N-ethyl-N-nitrosocarbamate
SYSTEMATIC NAME: ethyl N-ethyl-N-nitroso-carbamate
MOLECULAR FORMULA: C5H10N2O3
MOLECULAR WEIGHT: 146.1445
SMILES: CCN(C(=O)OCC)N=O
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Product OPENEYE NAME: 5-methyl-1H-indole
CAS Name: 5-methyl-1H-indole
IUPAC NAME: 5-methyl-1H-indole
SYSTEMATIC NAME: 5-methyl-1H-indole
MOLECULAR FORMULA: C9H9N
MOLECULAR WEIGHT: 131.17446
SMILES: CC1=CC2=C(C=C1)NC=C2
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Product OPENEYE NAME: 6-methyl-1H-benzimidazole
CAS Name: 6-methyl-1H-benzimidazole
IUPAC NAME: 6-methyl-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-1H-benzimidazole
MOLECULAR FORMULA: C8H8N2
MOLECULAR WEIGHT: 132.16252
SMILES: CC1=CC2=C(C=C1)N=CN2
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Product OPENEYE NAME: ethyl furan-2-carboxylate
CAS Name: 2-furancarboxylic acid ethyl ester
IUPAC NAME: ethyl furan-2-carboxylate
SYSTEMATIC NAME: ethyl furan-2-carboxylate
MOLECULAR FORMULA: C7H8O3
MOLECULAR WEIGHT: 140.13662
SMILES: CCOC(=O)C1=CC=CO1
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Product OPENEYE NAME: 3-methyl-4-nitroso-phenol
CAS Name: 3-methyl-4-nitrosophenol
IUPAC NAME: 3-methyl-4-nitrosophenol
SYSTEMATIC NAME: 3-methyl-4-nitroso-phenol
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: CC1=C(C=CC(=C1)O)N=O
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Product OPENEYE NAME: propyl furan-2-carboxylate
CAS Name: 2-furancarboxylic acid propyl ester
IUPAC NAME: propyl furan-2-carboxylate
SYSTEMATIC NAME: propyl furan-2-carboxylate
MOLECULAR FORMULA: C8H10O3
MOLECULAR WEIGHT: 154.1632
SMILES: CCCOC(=O)C1=CC=CO1
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Product OPENEYE NAME: indan-2-one
CAS Name: 1,3-dihydroinden-2-one
IUPAC NAME: 1,3-dihydroinden-2-one
SYSTEMATIC NAME: 1,3-dihydroinden-2-one
MOLECULAR FORMULA: C9H8O
MOLECULAR WEIGHT: 132.15922
SMILES: C1C(=O)CC2=CC=CC=C21
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Product OPENEYE NAME: 2-methyl-1H-benzimidazole
CAS Name: 2-methyl-1H-benzimidazole
IUPAC NAME: 2-methyl-1H-benzimidazole
SYSTEMATIC NAME: 2-methyl-1H-benzimidazole
MOLECULAR FORMULA: C8H8N2
MOLECULAR WEIGHT: 132.16252
SMILES: CC1=NC2=CC=CC=C2N1
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Product OPENEYE NAME: 1,3-dihydrobenzimidazol-2-one
CAS Name: 1,3-dihydrobenzimidazol-2-one
IUPAC NAME: 1,3-dihydrobenzimidazol-2-one
SYSTEMATIC NAME: 1,3-dihydrobenzimidazol-2-one
MOLECULAR FORMULA: C7H6N2O
MOLECULAR WEIGHT: 134.13534
SMILES: C1=CC=C2C(=C1)NC(=O)N2
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Product OPENEYE NAME: 2-chloro-1,3-benzoxazole
CAS Name: 2-chloro-1,3-benzoxazole
IUPAC NAME: 2-chloro-1,3-benzoxazole
SYSTEMATIC NAME: 2-chloranyl-1,3-benzoxazole
MOLECULAR FORMULA: C7H4ClNO
MOLECULAR WEIGHT: 153.56576
SMILES: C1=CC=C2C(=C1)N=C(O2)Cl
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Product OPENEYE NAME: 2-chloro-1,3-benzothiazole
CAS Name: 2-chloro-1,3-benzothiazole
IUPAC NAME: 2-chloro-1,3-benzothiazole
SYSTEMATIC NAME: 2-chloranyl-1,3-benzothiazole
MOLECULAR FORMULA: C7H4ClNS
MOLECULAR WEIGHT: 169.63136
SMILES: C1=CC=C2C(=C1)N=C(S2)Cl
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Product OPENEYE NAME: 1,3-benzothiazol-2-ylhydrazine
CAS Name: 1,3-benzothiazol-2-ylhydrazine
IUPAC NAME: 1,3-benzothiazol-2-ylhydrazine
SYSTEMATIC NAME: 1,3-benzothiazol-2-yldiazane
MOLECULAR FORMULA: C7H7N3S
MOLECULAR WEIGHT: 165.21558
SMILES: C1=CC=C2C(=C1)N=C(S2)NN
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Product OPENEYE NAME: 2-methylsulfanyl-1,3-benzothiazole
CAS Name: 2-(methylthio)-1,3-benzothiazole
IUPAC NAME: 2-methylsulfanyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-methylsulfanyl-1,3-benzothiazole
MOLECULAR FORMULA: C8H7NS2
MOLECULAR WEIGHT: 181.27788
SMILES: CSC1=NC2=CC=CC=C2S1
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Product OPENEYE NAME: benzene-1,2-diamine dihydrochloride
CAS Name: benzene-1,2-diamine dihydrochloride
IUPAC NAME: benzene-1,2-diamine dihydrochloride
SYSTEMATIC NAME: benzene-1,2-diamine dihydrochloride
MOLECULAR FORMULA: C6H10Cl2N2
MOLECULAR WEIGHT: 181.063
SMILES: C1=CC=C(C(=C1)N)N.Cl.Cl
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