Tuesday, August 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-benzyl-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS Name: 2-(phenylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
IUPAC NAME: 2-benzyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-(phenylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C12H7Cl6N3
MOLECULAR WEIGHT: 405.92208
SMILES: C1=CC=C(C=C1)CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 1-methyl-3-phenoxy-benzene
CAS Name: 1-methyl-3-phenoxybenzene
IUPAC NAME: 1-methyl-3-phenoxybenzene
SYSTEMATIC NAME: 1-methyl-3-phenoxy-benzene
MOLECULAR FORMULA: C13H12O
MOLECULAR WEIGHT: 184.23378
SMILES: CC1=CC(=CC=C1)OC2=CC=CC=C2
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Product OPENEYE NAME: 2-methylenebutanoic acid
CAS Name: 2-methylenebutanoic acid
IUPAC NAME: 2-methylidenebutanoic acid
SYSTEMATIC NAME: 2-methylidenebutanoic acid
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CCC(=C)C(=O)O
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Product OPENEYE NAME: bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate
CAS Name: N,N-dimethylcarbamodithioic acid bis[[dimethylamino(sulfanylidene)methyl]thio]arsino ester
IUPAC NAME: bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C9H18AsN3S6
MOLECULAR WEIGHT: 435.57092
SMILES: CN(C)C(=S)S[As](SC(=S)N(C)C)SC(=S)N(C)C
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Product OPENEYE NAME: 2-nitroanthracene
CAS Name: 2-nitroanthracene
IUPAC NAME: 2-nitroanthracene
SYSTEMATIC NAME: 2-nitroanthracene
MOLECULAR FORMULA: C14H9NO2
MOLECULAR WEIGHT: 223.22676
SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 2,3-dimethoxybuta-1,3-diene
CAS Name: 2,3-dimethoxybuta-1,3-diene
IUPAC NAME: 2,3-dimethoxybuta-1,3-diene
SYSTEMATIC NAME: 2,3-dimethoxybuta-1,3-diene
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: COC(=C)C(=C)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25Cl2N
MOLECULAR WEIGHT: 350.3252
SMILES: C[NH+](C)CCCC1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.[Cl-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24ClN
MOLECULAR WEIGHT: 313.86426
SMILES: CN(C)CCCC1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
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Product OPENEYE NAME: ethyl 2-(3-nitroanilino)acetate
CAS Name: 2-(3-nitroanilino)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(3-nitroanilino)acetate
SYSTEMATIC NAME: ethyl 2-[(3-nitrophenyl)amino]ethanoate
MOLECULAR FORMULA: C10H12N2O4
MOLECULAR WEIGHT: 224.21328
SMILES: CCOC(=O)CNC1=CC(=CC=C1)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-(4-nitroanilino)acetate
CAS Name: 2-(4-nitroanilino)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(4-nitroanilino)acetate
SYSTEMATIC NAME: ethyl 2-[(4-nitrophenyl)amino]ethanoate
MOLECULAR FORMULA: C10H12N2O4
MOLECULAR WEIGHT: 224.21328
SMILES: CCOC(=O)CNC1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 13-methyl-17-tetrahydropyran-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
CAS Name: 13-methyl-17-(2-oxanyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
IUPAC NAME: 13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: 13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C23H32O3
MOLECULAR WEIGHT: 356.49838
SMILES: CC12CCC3C(C1CCC2OC4CCCCO4)CCC5=C3C=CC(=C5)O
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Product OPENEYE NAME: N-(4-aminophenyl)sulfonyl-N-(3-methoxypyrazin-2-yl)acetamide
CAS Name: N-(4-aminophenyl)sulfonyl-N-(3-methoxy-2-pyrazinyl)acetamide
IUPAC NAME: N-(4-aminophenyl)sulfonyl-N-(3-methoxypyrazin-2-yl)acetamide
SYSTEMATIC NAME: N-(4-aminophenyl)sulfonyl-N-(3-methoxypyrazin-2-yl)ethanamide
MOLECULAR FORMULA: C13H14N4O4S
MOLECULAR WEIGHT: 322.33966
SMILES: CC(=O)N(C1=NC=CN=C1OC)S(=O)(=O)C2=CC=C(C=C2)N
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Product OPENEYE NAME: bis(2-chloropropyl)ammonium chloride
CAS Name: bis(2-chloropropyl)ammonium chloride
IUPAC NAME: bis(2-chloropropyl)azanium chloride
SYSTEMATIC NAME: bis(2-chloranylpropyl)azanium chloride
MOLECULAR FORMULA: C6H14Cl3N
MOLECULAR WEIGHT: 206.54106
SMILES: CC(C[NH2+]CC(C)Cl)Cl.[Cl-]
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Product OPENEYE NAME: 2-chloro-N-(2-chloropropyl)propan-1-amine
CAS Name: 2-chloro-N-(2-chloropropyl)-1-propanamine
IUPAC NAME: 2-chloro-N-(2-chloropropyl)propan-1-amine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloranylpropyl)propan-1-amine
MOLECULAR FORMULA: C6H13Cl2N
MOLECULAR WEIGHT: 170.08012
SMILES: CC(CNCC(C)Cl)Cl
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Product OPENEYE NAME: N-propylcyclohexanamine
CAS Name: N-propylcyclohexanamine
IUPAC NAME: N-propylcyclohexanamine
SYSTEMATIC NAME: N-propylcyclohexanamine
MOLECULAR FORMULA: C9H19N
MOLECULAR WEIGHT: 141.25386
SMILES: CCCNC1CCCCC1
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Product OPENEYE NAME: butyl(tripropyl)ammonium iodide
CAS Name: butyl(tripropyl)ammonium iodide
IUPAC NAME: butyl(tripropyl)azanium iodide
SYSTEMATIC NAME: butyl(tripropyl)azanium iodide
MOLECULAR FORMULA: C13H30IN
MOLECULAR WEIGHT: 327.28847
SMILES: CCCC[N+](CCC)(CCC)CCC.[I-]
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Product OPENEYE NAME: butyl(tripropyl)ammonium
CAS Name: butyl(tripropyl)ammonium
IUPAC NAME: butyl(tripropyl)azanium
SYSTEMATIC NAME: butyl(tripropyl)azanium
MOLECULAR FORMULA: C13H30N+
MOLECULAR WEIGHT: 200.384
SMILES: CCCC[N+](CCC)(CCC)CCC
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