Tuesday, May 29, 2012

http://ChemLookup.com Compounds




CAS RN: 3033-53-2
CAS Name: 2-methyl-3-oxo-1-cyclopentanecarboxylic acid
OPENEYE Name: 2-methyl-3-oxo-cyclopentanecarboxylic acid
IUPAC Name: 2-methyl-3-oxocyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 2-methyl-3-oxidanylidene-cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C7H10O3
MOLECULAR WEIGHT: 142.1525
SMILES: CC1C(CCC1=O)C(=O)O
Structure:

CAS RN: 50269-96-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C7H6O4
MOLECULAR WEIGHT: 154.12014
SMILES: C1=CC2C3C(C1O2)OC(=O)O3
Structure:

CAS RN: 23809-33-8
CAS Name: (2,2-dimethylpropylideneamino)urea
OPENEYE Name: (2,2-dimethylpropylideneamino)urea
IUPAC Name: (2,2-dimethylpropylideneamino)urea
SYSTEMATIC NAME: 1-(2,2-dimethylpropylideneamino)urea
MOLECULAR FORMULA: C6H13N3O
MOLECULAR WEIGHT: 143.18692
SMILES: CC(C)(C)C=NNC(=O)N
Structure:

CAS RN: 65173-64-0
CAS Name: cyclohex-4-ene-1,2-diol
OPENEYE Name: cyclohex-4-ene-1,2-diol
IUPAC Name: cyclohex-4-ene-1,2-diol
SYSTEMATIC NAME: cyclohex-4-ene-1,2-diol
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C1C=CCC(C1O)O
Structure:

CAS RN: 50269-97-1
CAS Name: 7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
OPENEYE Name: 7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
IUPAC Name: 7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
SYSTEMATIC NAME: 7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
MOLECULAR FORMULA: C6H8O3
MOLECULAR WEIGHT: 128.12592
SMILES: C1=CC2C(C(C1O2)O)O
Structure:

CAS RN: 15089-74-4
CAS Name: 2-chloro-4,5-dimethylbenzoic acid
OPENEYE Name: 2-chloro-4,5-dimethyl-benzoic acid
IUPAC Name: 2-chloro-4,5-dimethylbenzoic acid
SYSTEMATIC NAME: 2-chloranyl-4,5-dimethyl-benzoic acid
MOLECULAR FORMULA: C9H9ClO2
MOLECULAR WEIGHT: 184.61956
SMILES: CC1=C(C=C(C(=C1)C(=O)O)Cl)C
Structure:

CAS RN: 90954-18-0
CAS Name: 4-oxocyclohexane-1,2-dicarboxylic acid
OPENEYE Name: 4-oxocyclohexane-1,2-dicarboxylic acid
IUPAC Name: 4-oxocyclohexane-1,2-dicarboxylic acid
SYSTEMATIC NAME: 4-oxidanylidenecyclohexane-1,2-dicarboxylic acid
MOLECULAR FORMULA: C8H10O5
MOLECULAR WEIGHT: 186.162
SMILES: C1CC(=O)CC(C1C(=O)O)C(=O)O
Structure:

CAS RN: 2571-53-1
CAS Name: 2,3,5,6-tetramethylbenzonitrile
OPENEYE Name: 2,3,5,6-tetramethylbenzonitrile
IUPAC Name: 2,3,5,6-tetramethylbenzonitrile
SYSTEMATIC NAME: 2,3,5,6-tetramethylbenzenecarbonitrile
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CC1=CC(=C(C(=C1C)C#N)C)C
Structure:

CAS RN: 55352-37-9
CAS Name: 2,3,5,6-tetramethylbenzoic acid tert-butyl ester
OPENEYE Name: tert-butyl 2,3,5,6-tetramethylbenzoate
IUPAC Name: tert-butyl 2,3,5,6-tetramethylbenzoate
SYSTEMATIC NAME: tert-butyl 2,3,5,6-tetramethylbenzoate
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CC1=CC(=C(C(=C1C)C(=O)OC(C)(C)C)C)C
Structure:

CAS RN: 55352-36-8
CAS Name: 2,3,5,6-tetramethylbenzoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2,3,5,6-tetramethylbenzoate
IUPAC Name: propan-2-yl 2,3,5,6-tetramethylbenzoate
SYSTEMATIC NAME: propan-2-yl 2,3,5,6-tetramethylbenzoate
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CC1=CC(=C(C(=C1C)C(=O)OC(C)C)C)C
Structure:

CAS RN: 55352-35-7
CAS Name: 2,3,5,6-tetramethylbenzoic acid ethyl ester
OPENEYE Name: ethyl 2,3,5,6-tetramethylbenzoate
IUPAC Name: ethyl 2,3,5,6-tetramethylbenzoate
SYSTEMATIC NAME: ethyl 2,3,5,6-tetramethylbenzoate
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CCOC(=O)C1=C(C(=CC(=C1C)C)C)C
Structure:

CAS RN: 22524-51-2
CAS Name: 2,3,5,6-tetramethylbenzoic acid methyl ester
OPENEYE Name: methyl 2,3,5,6-tetramethylbenzoate
IUPAC Name: methyl 2,3,5,6-tetramethylbenzoate
SYSTEMATIC NAME: methyl 2,3,5,6-tetramethylbenzoate
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CC1=CC(=C(C(=C1C)C(=O)OC)C)C
Structure:

CAS RN: 53342-34-0
CAS Name: 2-(2-phenylethyl)naphthalene
OPENEYE Name: 2-(2-phenylethyl)naphthalene
IUPAC Name: 2-(2-phenylethyl)naphthalene
SYSTEMATIC NAME: 2-(2-phenylethyl)naphthalene
MOLECULAR FORMULA: C18H16
MOLECULAR WEIGHT: 232.31964
SMILES: C1=CC=C(C=C1)CCC2=CC3=CC=CC=C3C=C2
Structure:

CAS RN: 21297-24-5
CAS Name: 1,5,8,12-tetramethylbenzo[c]phenanthrene
OPENEYE Name: 1,5,8,12-tetramethylbenzo[c]phenanthrene
IUPAC Name: 1,5,8,12-tetramethylbenzo[c]phenanthrene
SYSTEMATIC NAME: 1,5,8,12-tetramethylbenzo[c]phenanthrene
MOLECULAR FORMULA: C22H20
MOLECULAR WEIGHT: 284.3942
SMILES: CC1=CC=CC2=C1C3=C4C(=CC=CC4=C(C=C3C=C2C)C)C
Structure:

CAS RN: 1773-44-0
CAS Name: N-[(2-methylphenyl)methylideneamino]-2,4-dinitroaniline
OPENEYE Name: 2,4-dinitro-N-(o-tolylmethyleneamino)aniline
IUPAC Name: N-[(2-methylphenyl)methylideneamino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(2-methylphenyl)methylideneamino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C14H12N4O4
MOLECULAR WEIGHT: 300.26948
SMILES: CC1=CC=CC=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 17450-62-3
CAS Name: 5-(chloromethyl)-1,2,3,4-tetrahydronaphthalene
OPENEYE Name: 5-(chloromethyl)tetralin
IUPAC Name: 5-(chloromethyl)-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 5-(chloromethyl)-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C11H13Cl
MOLECULAR WEIGHT: 180.67392
SMILES: C1CCC2=C(C1)C=CC=C2CCl
Structure:

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