Wednesday, September 5, 2012

http://ChemLookup.com Compounds




CAS RN: 6964-13-2
CAS Name: 4a-phenyl-2,4,5,6,7,8-hexahydrocinnolin-3-one
OPENEYE Name: 4a-phenyl-2,4,5,6,7,8-hexahydrocinnolin-3-one
IUPAC Name: 4a-phenyl-2,4,5,6,7,8-hexahydrocinnolin-3-one
SYSTEMATIC NAME: 4a-phenyl-2,4,5,6,7,8-hexahydrocinnolin-3-one
MOLECULAR FORMULA: C14H16N2O
MOLECULAR WEIGHT: 228.28964
SMILES: C1CCC2(CC(=O)NN=C2C1)C3=CC=CC=C3
Structure:

CAS RN: 2522-17-0
CAS Name: mercapto-bis[4-(2-methylbutan-2-yl)phenoxy]-sulfanylidenephosphorane
OPENEYE Name: bis[4-(1,1-dimethylpropyl)phenoxy]-sulfanyl-thioxo-$l^{5}-phosphane
IUPAC Name: bis[4-(2-methylbutan-2-yl)phenoxy]-sulfanyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis[4-(2-methylbutan-2-yl)phenoxy]-sulfanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C22H31O2PS2
MOLECULAR WEIGHT: 422.584101
SMILES: CCC(C)(C)C1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)C(C)(C)CC)S
Structure:

CAS RN: 93923-70-7
CAS Name: 2-(octylthio)acetic acid
OPENEYE Name: 2-octylsulfanylacetic acid
IUPAC Name: 2-octylsulfanylacetic acid
SYSTEMATIC NAME: 2-octylsulfanylethanoic acid
MOLECULAR FORMULA: C10H20O2S
MOLECULAR WEIGHT: 204.3296
SMILES: CCCCCCCCSCC(=O)O
Structure:

CAS RN: 883010-02-4
CAS Name: 2-(4-chlorophenoxy)acetic acid 2-methylprop-2-enyl ester
OPENEYE Name: 2-methylallyl 2-(4-chlorophenoxy)acetate
IUPAC Name: 2-methylprop-2-enyl 2-(4-chlorophenoxy)acetate
SYSTEMATIC NAME: 2-methylprop-2-enyl 2-(4-chloranylphenoxy)ethanoate
MOLECULAR FORMULA: C12H13ClO3
MOLECULAR WEIGHT: 240.68282
SMILES: CC(=C)COC(=O)COC1=CC=C(C=C1)Cl
Structure:

CAS RN: 88338-92-5
CAS Name: 2-(4-chloro-2-prop-2-enylphenoxy)acetic acid
OPENEYE Name: 2-(2-allyl-4-chloro-phenoxy)acetic acid
IUPAC Name: 2-(4-chloro-2-prop-2-enylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-chloranyl-2-prop-2-enyl-phenoxy)ethanoic acid
MOLECULAR FORMULA: C11H11ClO3
MOLECULAR WEIGHT: 226.65624
SMILES: C=CCC1=C(C=CC(=C1)Cl)OCC(=O)O
Structure:

CAS RN: 106710-53-6
CAS Name: [3-(4-chlorophenyl)-2-oxiranyl]-phenylmethanone
OPENEYE Name: [3-(4-chlorophenyl)oxiran-2-yl]-phenyl-methanone
IUPAC Name: [3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone
SYSTEMATIC NAME: [3-(4-chlorophenyl)oxiran-2-yl]-phenyl-methanone
MOLECULAR FORMULA: C15H11ClO2
MOLECULAR WEIGHT: 258.69964
SMILES: C1=CC=C(C=C1)C(=O)C2C(O2)C3=CC=C(C=C3)Cl
Structure:

CAS RN: 106710-55-8
CAS Name: [3-(4-methoxyphenyl)-2-oxiranyl]-phenylmethanone
OPENEYE Name: [3-(4-methoxyphenyl)oxiran-2-yl]-phenyl-methanone
IUPAC Name: [3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
SYSTEMATIC NAME: [3-(4-methoxyphenyl)oxiran-2-yl]-phenyl-methanone
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: COC1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3
Structure:

CAS RN: 6969-07-9
CAS Name: 7,8-dimethoxy-2-(2-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 7,8-dimethoxy-2-(2-methoxyphenyl)chromen-4-one
IUPAC Name: 7,8-dimethoxy-2-(2-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7,8-dimethoxy-2-(2-methoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C18H16O5
MOLECULAR WEIGHT: 312.31664
SMILES: COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3OC)OC
Structure:

CAS RN: 21269-14-7
CAS Name: 1-(4-methylphenyl)-1-cyclohexanol
OPENEYE Name: 1-(p-tolyl)cyclohexanol
IUPAC Name: 1-(4-methylphenyl)cyclohexan-1-ol
SYSTEMATIC NAME: 1-(4-methylphenyl)cyclohexan-1-ol
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CC1=CC=C(C=C1)C2(CCCCC2)O
Structure:

CAS RN: 87273-60-7
CAS Name: 1-(3-methylphenyl)-1-cyclohexanol
OPENEYE Name: 1-(m-tolyl)cyclohexanol
IUPAC Name: 1-(3-methylphenyl)cyclohexan-1-ol
SYSTEMATIC NAME: 1-(3-methylphenyl)cyclohexan-1-ol
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CC1=CC=CC(=C1)C2(CCCCC2)O
Structure:

CAS RN: 91-50-9
CAS Name: 1,1,8,8-tetramethoxyoctane
OPENEYE Name: 1,1,8,8-tetramethoxyoctane
IUPAC Name: 1,1,8,8-tetramethoxyoctane
SYSTEMATIC NAME: 1,1,8,8-tetramethoxyoctane
MOLECULAR FORMULA: C12H26O4
MOLECULAR WEIGHT: 234.33244
SMILES: COC(CCCCCCC(OC)OC)OC
Structure:

CAS RN: 6957-13-7
CAS Name: 2-(1-piperazinyl)-N-(3-pyridinylmethyl)ethanamine
OPENEYE Name: 2-piperazin-1-yl-N-(3-pyridylmethyl)ethanamine
IUPAC Name: 2-piperazin-1-yl-N-(pyridin-3-ylmethyl)ethanamine
SYSTEMATIC NAME: 2-piperazin-1-yl-N-(pyridin-3-ylmethyl)ethanamine
MOLECULAR FORMULA: C12H20N4
MOLECULAR WEIGHT: 220.314
SMILES: C1CN(CCN1)CCNCC2=CN=CC=C2
Structure:

CAS RN: 57460-54-5
CAS Name: 4,7,8-trimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
OPENEYE Name: 4,7,8-trimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
IUPAC Name: 4,7,8-trimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
SYSTEMATIC NAME: 4,7,8-trimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CC1=NC2=C(C=C(C(=C2)C)C)NC(=O)C1
Structure:

CAS RN: 52864-48-9
CAS Name: 2-[2-(3-pyridinyl)ethyl]pyridine
OPENEYE Name: 2-[2-(3-pyridyl)ethyl]pyridine
IUPAC Name: 2-(2-pyridin-3-ylethyl)pyridine
SYSTEMATIC NAME: 2-(2-pyridin-3-ylethyl)pyridine
MOLECULAR FORMULA: C12H12N2
MOLECULAR WEIGHT: 184.23708
SMILES: C1=CC=NC(=C1)CCC2=CN=CC=C2
Structure:

CAS RN: 68211-09-6
CAS Name: 4-(1-aziridinyl)-8-nitrocinnoline
OPENEYE Name: 4-(aziridin-1-yl)-8-nitro-cinnoline
IUPAC Name: 4-(aziridin-1-yl)-8-nitrocinnoline
SYSTEMATIC NAME: 4-(aziridin-1-yl)-8-nitro-cinnoline
MOLECULAR FORMULA: C10H8N4O2
MOLECULAR WEIGHT: 216.19612
SMILES: C1CN1C2=CN=NC3=C2C=CC=C3[N+](=O)[O-]
Structure:

CAS RN: 68211-08-5
CAS Name: 4-(1-aziridinyl)-6-nitrocinnoline
OPENEYE Name: 4-(aziridin-1-yl)-6-nitro-cinnoline
IUPAC Name: 4-(aziridin-1-yl)-6-nitrocinnoline
SYSTEMATIC NAME: 4-(aziridin-1-yl)-6-nitro-cinnoline
MOLECULAR FORMULA: C10H8N4O2
MOLECULAR WEIGHT: 216.19612
SMILES: C1CN1C2=CN=NC3=C2C=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 68211-04-1
CAS Name: 4-(1-aziridinyl)-6-chlorocinnoline
OPENEYE Name: 4-(aziridin-1-yl)-6-chloro-cinnoline
IUPAC Name: 4-(aziridin-1-yl)-6-chlorocinnoline
SYSTEMATIC NAME: 4-(aziridin-1-yl)-6-chloranyl-cinnoline
MOLECULAR FORMULA: C10H8ClN3
MOLECULAR WEIGHT: 205.64362
SMILES: C1CN1C2=CN=NC3=C2C=C(C=C3)Cl
Structure:

CAS RN: 68211-06-3
CAS Name: 4-(1-aziridinyl)-6,7-dichlorocinnoline
OPENEYE Name: 4-(aziridin-1-yl)-6,7-dichloro-cinnoline
IUPAC Name: 4-(aziridin-1-yl)-6,7-dichlorocinnoline
SYSTEMATIC NAME: 4-(aziridin-1-yl)-6,7-bis(chloranyl)cinnoline
MOLECULAR FORMULA: C10H7Cl2N3
MOLECULAR WEIGHT: 240.08868
SMILES: C1CN1C2=CN=NC3=CC(=C(C=C32)Cl)Cl
Structure:

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