Sunday, March 25, 2012

http://ChemLookup.com Compounds




CAS RN: 54828-63-6
CAS Name: 6-bromo-1-methoxynaphthalene
OPENEYE Name: 6-bromo-1-methoxy-naphthalene
IUPAC Name: 6-bromo-1-methoxynaphthalene
SYSTEMATIC NAME: 6-bromanyl-1-methoxy-naphthalene
MOLECULAR FORMULA: C11H9BrO
MOLECULAR WEIGHT: 237.09256
SMILES: COC1=CC=CC2=C1C=CC(=C2)Br
Structure:

CAS RN: 54798-28-6
CAS Name: acetic acid (5-amino-6-cyano-2-pyrazinyl) ester
OPENEYE Name: (5-amino-6-cyano-pyrazin-2-yl) acetate
IUPAC Name: (5-amino-6-cyanopyrazin-2-yl) acetate
SYSTEMATIC NAME: (5-azanyl-6-cyano-pyrazin-2-yl) ethanoate
MOLECULAR FORMULA: C7H6N4O2
MOLECULAR WEIGHT: 178.14814
SMILES: CC(=O)OC1=CN=C(C(=N1)C#N)N
Structure:

CAS RN: 54790-01-1
CAS Name: 2-bromo-1-[4-(propan-2-ylthio)phenyl]-1-propanone
OPENEYE Name: 2-bromo-1-(4-isopropylsulfanylphenyl)propan-1-one
IUPAC Name: 2-bromo-1-(4-propan-2-ylsulfanylphenyl)propan-1-one
SYSTEMATIC NAME: 2-bromanyl-1-(4-propan-2-ylsulfanylphenyl)propan-1-one
MOLECULAR FORMULA: C12H15BrOS
MOLECULAR WEIGHT: 287.2159
SMILES: CC(C)SC1=CC=C(C=C1)C(=O)C(C)Br
Structure:

CAS RN: 54784-12-2
CAS Name: 4-hexoxy-1-naphthalenecarboxaldehyde
OPENEYE Name: 4-hexoxynaphthalene-1-carbaldehyde
IUPAC Name: 4-hexoxynaphthalene-1-carbaldehyde
SYSTEMATIC NAME: 4-hexoxynaphthalene-1-carbaldehyde
MOLECULAR FORMULA: C17H20O2
MOLECULAR WEIGHT: 256.3395
SMILES: CCCCCCOC1=CC=C(C2=CC=CC=C21)C=O
Structure:

CAS RN: 54773-22-7
CAS Name: 2,6-di(nonyl)phenol
OPENEYE Name: 2,6-di(nonyl)phenol
IUPAC Name: 2,6-di(nonyl)phenol
SYSTEMATIC NAME: 2,6-di(nonyl)phenol
MOLECULAR FORMULA: C24H42O
MOLECULAR WEIGHT: 346.58968
SMILES: CCCCCCCCCC1=C(C(=CC=C1)CCCCCCCCC)O
Structure:

CAS RN: 54773-21-6
CAS Name: 2,4,6-trioctylphenol
OPENEYE Name: 2,4,6-trioctylphenol
IUPAC Name: 2,4,6-trioctylphenol
SYSTEMATIC NAME: 2,4,6-trioctylphenol
MOLECULAR FORMULA: C30H54O
MOLECULAR WEIGHT: 430.74916
SMILES: CCCCCCCCC1=CC(=C(C(=C1)CCCCCCCC)O)CCCCCCCC
Structure:

CAS RN: 54736-56-0
CAS Name: cyclohex-4-ene-1,2-dicarboxylic acid bis[2-[2-(2-methyl-1-oxoprop-2-enoxy)ethoxy]ethyl] ester
OPENEYE Name: bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohex-4-ene-1,2-dicarboxylate
IUPAC Name: bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohex-4-ene-1,2-dicarboxylate
SYSTEMATIC NAME: bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohex-4-ene-1,2-dicarboxylate
MOLECULAR FORMULA: C24H34O10
MOLECULAR WEIGHT: 482.52076
SMILES: CC(=C)C(=O)OCCOCCOC(=O)C1CC=CCC1C(=O)OCCOCCOC(=O)C(=C)C
Structure:

CAS RN: 54718-99-9
CAS Name: 1-(dimethylamino)propane-1,3-diol
OPENEYE Name: 1-(dimethylamino)propane-1,3-diol
IUPAC Name: 1-(dimethylamino)propane-1,3-diol
SYSTEMATIC NAME: 1-(dimethylamino)propane-1,3-diol
MOLECULAR FORMULA: C5H13NO2
MOLECULAR WEIGHT: 119.16222
SMILES: CN(C)C(CCO)O
Structure:

CAS RN: 54707-83-4
CAS Name: 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride
OPENEYE Name: 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride
IUPAC Name: 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride
SYSTEMATIC NAME: 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride
MOLECULAR FORMULA: C13H19ClN2
MOLECULAR WEIGHT: 238.75636
SMILES: CC1=CC(=C(C(=C1)C)CC2=NCCN2)C.Cl
Structure:

CAS RN: 54669-98-6
CAS Name: 2-acetamido-5-aminobenzoic acid
OPENEYE Name: 2-acetamido-5-amino-benzoic acid
IUPAC Name: 2-acetamido-5-aminobenzoic acid
SYSTEMATIC NAME: 2-acetamido-5-azanyl-benzoic acid
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: CC(=O)NC1=C(C=C(C=C1)N)C(=O)O
Structure:

CAS RN: 54650-17-8
CAS Name: N,N-diethyl-2-(N-methylanilino)propanamide
OPENEYE Name: N,N-diethyl-2-(N-methylanilino)propanamide
IUPAC Name: N,N-diethyl-2-(N-methylanilino)propanamide
SYSTEMATIC NAME: N,N-diethyl-2-[methyl(phenyl)amino]propanamide
MOLECULAR FORMULA: C14H22N2O
MOLECULAR WEIGHT: 234.33728
SMILES: CCN(CC)C(=O)C(C)N(C)C1=CC=CC=C1
Structure:

CAS RN: 57035-27-5
CAS Name: N,N-diethyl-2-(N-methylanilino)propanamide
OPENEYE Name: N,N-diethyl-2-(N-methylanilino)propanamide
IUPAC Name: N,N-diethyl-2-(N-methylanilino)propanamide
SYSTEMATIC NAME: N,N-diethyl-2-[methyl(phenyl)amino]propanamide
MOLECULAR FORMULA: C14H22N2O
MOLECULAR WEIGHT: 234.33728
SMILES: CCN(CC)C(=O)C(C)N(C)C1=CC=CC=C1
Structure:

CAS RN: 54641-24-6
CAS Name: 2-methyl-2-propenoic acid 2-[bis(dimethylamino)phosphoryloxy]ethyl ester
OPENEYE Name: 2-[bis(dimethylamino)phosphoryloxy]ethyl 2-methylprop-2-enoate
IUPAC Name: 2-[bis(dimethylamino)phosphoryloxy]ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-[bis(dimethylamino)phosphoryloxy]ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C10H21N2O4P
MOLECULAR WEIGHT: 264.258501
SMILES: CC(=C)C(=O)OCCOP(=O)(N(C)C)N(C)C
Structure:

CAS RN: 54629-96-8
CAS Name: 4-methyl-3-phenoxypyridine
OPENEYE Name: 4-methyl-3-phenoxy-pyridine
IUPAC Name: 4-methyl-3-phenoxypyridine
SYSTEMATIC NAME: 4-methyl-3-phenoxy-pyridine
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: CC1=C(C=NC=C1)OC2=CC=CC=C2
Structure:

CAS RN: 54628-89-6
CAS Name: 1-(4-aminophenyl)-1,3,3-trimethyl-2H-inden-5-amine
OPENEYE Name: 1-(4-aminophenyl)-1,3,3-trimethyl-indan-5-amine
IUPAC Name: 1-(4-aminophenyl)-1,3,3-trimethyl-2H-inden-5-amine
SYSTEMATIC NAME: 1-(4-aminophenyl)-1,3,3-trimethyl-2H-inden-5-amine
MOLECULAR FORMULA: C18H22N2
MOLECULAR WEIGHT: 266.38068
SMILES: CC1(CC(C2=C1C=C(C=C2)N)(C)C3=CC=C(C=C3)N)C
Structure:

CAS RN: 54609-15-3
CAS Name: 1-(2,4-dimethyl-1-pyrrolyl)-1-propanol
OPENEYE Name: 1-(2,4-dimethylpyrrol-1-yl)propan-1-ol
IUPAC Name: 1-(2,4-dimethylpyrrol-1-yl)propan-1-ol
SYSTEMATIC NAME: 1-(2,4-dimethylpyrrol-1-yl)propan-1-ol
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: CCC(N1C=C(C=C1C)C)O
Structure:

CAS RN: 54574-23-1
CAS Name: 4-methoxy-N,N-dioctylaniline
OPENEYE Name: 4-methoxy-N,N-dioctyl-aniline
IUPAC Name: 4-methoxy-N,N-dioctylaniline
SYSTEMATIC NAME: 4-methoxy-N,N-dioctyl-aniline
MOLECULAR FORMULA: C23H41NO
MOLECULAR WEIGHT: 347.57774
SMILES: CCCCCCCCN(CCCCCCCC)C1=CC=C(C=C1)OC
Structure:

CAS RN: 54567-09-8
CAS Name: 2-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-5-nitrobenzonitrile
OPENEYE Name: 2-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-5-nitro-benzonitrile
IUPAC Name: 2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
SYSTEMATIC NAME: 2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-5-nitro-benzenecarbonitrile
MOLECULAR FORMULA: C17H17N5O4
MOLECULAR WEIGHT: 355.34798
SMILES: C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N(CCO)CCO
Structure:

CAS RN: 54561-97-6
CAS Name: 2,4-dimethyl-N,N-bis(2-methylpropyl)-3-pentanamine
OPENEYE Name: N,N-diisobutyl-2,4-dimethyl-pentan-3-amine
IUPAC Name: 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine
SYSTEMATIC NAME: 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine
MOLECULAR FORMULA: C15H33N
MOLECULAR WEIGHT: 227.42922
SMILES: CC(C)CN(CC(C)C)C(C(C)C)C(C)C
Structure:

CAS RN: 54547-81-8
CAS Name: 1-(7-hexyl-9,10-dihydrophenanthren-2-yl)-1-octanone
OPENEYE Name: 1-(7-hexyl-9,10-dihydrophenanthren-2-yl)octan-1-one
IUPAC Name: 1-(7-hexyl-9,10-dihydrophenanthren-2-yl)octan-1-one
SYSTEMATIC NAME: 1-(7-hexyl-9,10-dihydrophenanthren-2-yl)octan-1-one
MOLECULAR FORMULA: C28H38O
MOLECULAR WEIGHT: 390.60072
SMILES: CCCCCCCC(=O)C1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3)CCCCCC
Structure:

CAS RN: 54540-58-8
CAS Name: 1-(4-chlorobutyl)-4-fluorobenzene
OPENEYE Name: 1-(4-chlorobutyl)-4-fluoro-benzene
IUPAC Name: 1-(4-chlorobutyl)-4-fluorobenzene
SYSTEMATIC NAME: 1-(4-chloranylbutyl)-4-fluoranyl-benzene
MOLECULAR FORMULA: C10H12ClF
MOLECULAR WEIGHT: 186.653683
SMILES: C1=CC(=CC=C1CCCCCl)F
Structure:

CAS RN: 54527-89-8
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-chloroethyl) ester O3-methyl ester
OPENEYE Name: O5-(2-chloroethyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 5-O-(2-chloroethyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O5-(2-chloroethyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C18H19ClN2O6
MOLECULAR WEIGHT: 394.80626
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCCl)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
Structure:

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