Thursday, September 1, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-triethyl-ammonium chloride
CAS Name: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylammonium chloride
IUPAC NAME: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium chloride
SYSTEMATIC NAME: (3-cyclohexyl-3-oxidanyl-3-phenyl-propyl)-triethyl-azanium chloride
MOLECULAR FORMULA: C21H36ClNO
MOLECULAR WEIGHT: 353.96964
SMILES: CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O.[Cl-]
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Product OPENEYE NAME: (3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-triethyl-ammonium
CAS Name: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylammonium
IUPAC NAME: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium
SYSTEMATIC NAME: (3-cyclohexyl-3-oxidanyl-3-phenyl-propyl)-triethyl-azanium
MOLECULAR FORMULA: C21H36NO+
MOLECULAR WEIGHT: 318.51664
SMILES: CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O
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Product OPENEYE NAME: 1-(4-fluorophenyl)-6-methoxy-2-phenyl-tetralin-1-ol
CAS Name: 1-(4-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-ol
IUPAC NAME: 1-(4-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-ol
SYSTEMATIC NAME: 1-(4-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-ol
MOLECULAR FORMULA: C23H21FO2
MOLECULAR WEIGHT: 348.410043
SMILES: COC1=CC2=C(C=C1)C(C(CC2)C3=CC=CC=C3)(C4=CC=C(C=C4)F)O
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Product OPENEYE NAME: 4-(4-fluorophenyl)-7-methoxy-3-phenyl-1,2-dihydronaphthalene
CAS Name: 4-(4-fluorophenyl)-7-methoxy-3-phenyl-1,2-dihydronaphthalene
IUPAC NAME: 4-(4-fluorophenyl)-7-methoxy-3-phenyl-1,2-dihydronaphthalene
SYSTEMATIC NAME: 4-(4-fluorophenyl)-7-methoxy-3-phenyl-1,2-dihydronaphthalene
MOLECULAR FORMULA: C23H19FO
MOLECULAR WEIGHT: 330.394763
SMILES: COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 2-(benzo[c]acridin-7-ylammonio)ethyl-(2-chloroethyl)-ethyl-ammonium dichloride
CAS Name: 2-(7-benzo[c]acridinylammonio)ethyl-(2-chloroethyl)-ethylammonium dichloride
IUPAC NAME: 2-(benzo[c]acridin-7-ylazaniumyl)ethyl-(2-chloroethyl)-ethylazanium dichloride
SYSTEMATIC NAME: 2-(benzo[c]acridin-7-ylazaniumyl)ethyl-(2-chloroethyl)-ethyl-azanium dichloride
MOLECULAR FORMULA: C23H26Cl3N3
MOLECULAR WEIGHT: 450.83164
SMILES: CC[NH+](CC[NH2+]C1=C2C=CC3=CC=CC=C3C2=NC4=CC=CC=C41)CCCl.[Cl-].[Cl-]
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Product OPENEYE NAME: N-benzo[c]acridin-7-yl-N'-(2-chloroethyl)-N'-ethyl-ethane-1,2-diamine
CAS Name: N-(7-benzo[c]acridinyl)-N'-(2-chloroethyl)-N'-ethylethane-1,2-diamine
IUPAC NAME: N-benzo[c]acridin-7-yl-N'-(2-chloroethyl)-N'-ethylethane-1,2-diamine
SYSTEMATIC NAME: N-benzo[c]acridin-7-yl-N'-(2-chloroethyl)-N'-ethyl-ethane-1,2-diamine
MOLECULAR FORMULA: C23H24ClN3
MOLECULAR WEIGHT: 377.90976
SMILES: CCN(CCNC1=C2C=CC3=CC=CC=C3C2=NC4=CC=CC=C41)CCCl
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Product OPENEYE NAME: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride
CAS Name: 2-[16-(2-isoquinolin-2-iumyl)hexadecyl]isoquinolin-2-ium dichloride
IUPAC NAME: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride
SYSTEMATIC NAME: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride
MOLECULAR FORMULA: C34H46Cl2N2
MOLECULAR WEIGHT: 553.64844
SMILES: C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[Cl-].[Cl-]
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Product OPENEYE NAME: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium
CAS Name: 2-[16-(2-isoquinolin-2-iumyl)hexadecyl]isoquinolin-2-ium
IUPAC NAME: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium
SYSTEMATIC NAME: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium
MOLECULAR FORMULA: C34H46N2+2
MOLECULAR WEIGHT: 482.74244
SMILES: C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: hepta-2,4-dienal
CAS Name: hepta-2,4-dienal
IUPAC NAME: hepta-2,4-dienal
SYSTEMATIC NAME: hepta-2,4-dienal
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CCC=CC=CC=O
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Product OPENEYE NAME: N,N,2-trimethyl-4-(4-nitrophenyl)azo-aniline
CAS Name: N,N,2-trimethyl-4-(4-nitrophenyl)azoaniline
IUPAC NAME: N,N,2-trimethyl-4-[(4-nitrophenyl)diazenyl]aniline
SYSTEMATIC NAME: N,N,2-trimethyl-4-[(4-nitrophenyl)diazenyl]aniline
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])N(C)C
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Product OPENEYE NAME: N,N,2-trimethyl-4-(3-nitrophenyl)azo-aniline
CAS Name: N,N,2-trimethyl-4-(3-nitrophenyl)azoaniline
IUPAC NAME: N,N,2-trimethyl-4-[(3-nitrophenyl)diazenyl]aniline
SYSTEMATIC NAME: N,N,2-trimethyl-4-[(3-nitrophenyl)diazenyl]aniline
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: CC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)[N+](=O)[O-])N(C)C
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Product OPENEYE NAME: 4-methylphthalic acid
CAS Name: 4-methylphthalic acid
IUPAC NAME: 4-methylphthalic acid
SYSTEMATIC NAME: 4-methylphthalic acid
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: CC1=CC(=C(C=C1)C(=O)O)C(=O)O
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Product OPENEYE NAME: 1-methoxy-4-(trimethoxymethyl)benzene
CAS Name: 1-methoxy-4-(trimethoxymethyl)benzene
IUPAC NAME: 1-methoxy-4-(trimethoxymethyl)benzene
SYSTEMATIC NAME: 1-methoxy-4-(trimethoxymethyl)benzene
MOLECULAR FORMULA: C11H16O4
MOLECULAR WEIGHT: 212.24234
SMILES: COC1=CC=C(C=C1)C(OC)(OC)OC
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Product OPENEYE NAME: 4,6-dichloro-5-nitro-pyrimidine
CAS Name: 4,6-dichloro-5-nitropyrimidine
IUPAC NAME: 4,6-dichloro-5-nitropyrimidine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-5-nitro-pyrimidine
MOLECULAR FORMULA: C4HCl2N3O2
MOLECULAR WEIGHT: 193.97564
SMILES: C1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23NO
MOLECULAR WEIGHT: 293.40272
SMILES: C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-]
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Product OPENEYE NAME: pyridine-2,5-diamine
CAS Name: pyridine-2,5-diamine
IUPAC NAME: pyridine-2,5-diamine
SYSTEMATIC NAME: pyridine-2,5-diamine
MOLECULAR FORMULA: C5H7N3
MOLECULAR WEIGHT: 109.12918
SMILES: C1=CC(=NC=C1N)N
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Product OPENEYE NAME: morpholin-4-amine
CAS Name: 4-morpholinamine
IUPAC NAME: morpholin-4-amine
SYSTEMATIC NAME: morpholin-4-amine
MOLECULAR FORMULA: C4H10N2O
MOLECULAR WEIGHT: 102.135
SMILES: C1COCCN1N
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