Wednesday, May 30, 2012

http://ChemLookup.com Compounds




CAS RN: 7094-34-0
CAS Name: bis(3-chlorophenyl)methanone
OPENEYE Name: bis(3-chlorophenyl)methanone
IUPAC Name: bis(3-chlorophenyl)methanone
SYSTEMATIC NAME: bis(3-chlorophenyl)methanone
MOLECULAR FORMULA: C13H8Cl2O
MOLECULAR WEIGHT: 251.10802
SMILES: C1=CC(=CC(=C1)Cl)C(=O)C2=CC(=CC=C2)Cl
Structure:

CAS RN: 7498-66-0
CAS Name: (3-chlorophenyl)-(4-chlorophenyl)methanone
OPENEYE Name: (3-chlorophenyl)-(4-chlorophenyl)methanone
IUPAC Name: (3-chlorophenyl)-(4-chlorophenyl)methanone
SYSTEMATIC NAME: (3-chlorophenyl)-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C13H8Cl2O
MOLECULAR WEIGHT: 251.10802
SMILES: C1=CC(=CC(=C1)Cl)C(=O)C2=CC=C(C=C2)Cl
Structure:

CAS RN: 7498-65-9
CAS Name: bis(4-chloro-3-nitrophenyl)methanone
OPENEYE Name: bis(4-chloro-3-nitro-phenyl)methanone
IUPAC Name: bis(4-chloro-3-nitrophenyl)methanone
SYSTEMATIC NAME: bis(4-chloranyl-3-nitro-phenyl)methanone
MOLECULAR FORMULA: C13H6Cl2N2O5
MOLECULAR WEIGHT: 341.10314
SMILES: C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl
Structure:

CAS RN: 7498-64-8
CAS Name: 4-methylphenanthrene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 4-methylphenanthrene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 4-methylphenanthrene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 4-methylphenanthrene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C28H17N3O7
MOLECULAR WEIGHT: 507.45048
SMILES: CC1=CC=CC2=C1C3=CC=CC=C3C=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 7498-63-7
CAS Name: 3,3-dimethyl-N,2-di(propan-2-yl)butanamide
OPENEYE Name: N,2-diisopropyl-3,3-dimethyl-butanamide
IUPAC Name: 3,3-dimethyl-N,2-di(propan-2-yl)butanamide
SYSTEMATIC NAME: 3,3-dimethyl-N,2-di(propan-2-yl)butanamide
MOLECULAR FORMULA: C12H25NO
MOLECULAR WEIGHT: 199.333
SMILES: CC(C)C(C(=O)NC(C)C)C(C)(C)C
Structure:

CAS RN: 7498-61-5
CAS Name: 4,5-ditert-butyl-5-chloro-2-furanone
OPENEYE Name: 4,5-ditert-butyl-5-chloro-furan-2-one
IUPAC Name: 4,5-ditert-butyl-5-chlorofuran-2-one
SYSTEMATIC NAME: 4,5-ditert-butyl-5-chloranyl-furan-2-one
MOLECULAR FORMULA: C12H19ClO2
MOLECULAR WEIGHT: 230.73106
SMILES: CC(C)(C)C1=CC(=O)OC1(C(C)(C)C)Cl
Structure:

CAS RN: 7498-60-4
CAS Name: 3-(1-hydroxy-2,2,6-trimethylcyclohexyl)-2-propynoic acid
OPENEYE Name: 3-(1-hydroxy-2,2,6-trimethyl-cyclohexyl)prop-2-ynoic acid
IUPAC Name: 3-(1-hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid
SYSTEMATIC NAME: 3-(2,2,6-trimethyl-1-oxidanyl-cyclohexyl)prop-2-ynoic acid
MOLECULAR FORMULA: C12H18O3
MOLECULAR WEIGHT: 210.26952
SMILES: CC1CCCC(C1(C#CC(=O)O)O)(C)C
Structure:

CAS RN: 7498-59-1
CAS Name: 3,3,3-trichloro-2-(4-methylphenyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3,3,3-trichloro-2-(p-tolyl)propanoate
IUPAC Name: ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate
SYSTEMATIC NAME: ethyl 3,3,3-tris(chloranyl)-2-(4-methylphenyl)propanoate
MOLECULAR FORMULA: C12H13Cl3O2
MOLECULAR WEIGHT: 295.58942
SMILES: CCOC(=O)C(C1=CC=C(C=C1)C)C(Cl)(Cl)Cl
Structure:

CAS RN: 7498-58-0
CAS Name: 7-methoxy-1-naphthalenecarboxylic acid
OPENEYE Name: 7-methoxynaphthalene-1-carboxylic acid
IUPAC Name: 7-methoxynaphthalene-1-carboxylic acid
SYSTEMATIC NAME: 7-methoxynaphthalene-1-carboxylic acid
MOLECULAR FORMULA: C12H10O3
MOLECULAR WEIGHT: 202.206
SMILES: COC1=CC2=C(C=CC=C2C(=O)O)C=C1
Structure:

CAS RN: 7498-56-8
CAS Name: 3-methyl-N,2-di(propan-2-yl)butanamide
OPENEYE Name: N,2-diisopropyl-3-methyl-butanamide
IUPAC Name: 3-methyl-N,2-di(propan-2-yl)butanamide
SYSTEMATIC NAME: 3-methyl-N,2-di(propan-2-yl)butanamide
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CC(C)C(C(C)C)C(=O)NC(C)C
Structure:

CAS RN: 7498-53-5
CAS Name: 4-methoxycarbonyl-2,6-dimethylbenzoic acid
OPENEYE Name: 4-methoxycarbonyl-2,6-dimethyl-benzoic acid
IUPAC Name: 4-methoxycarbonyl-2,6-dimethylbenzoic acid
SYSTEMATIC NAME: 4-methoxycarbonyl-2,6-dimethyl-benzoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: CC1=CC(=CC(=C1C(=O)O)C)C(=O)OC
Structure:

CAS RN: 7498-52-4
CAS Name: 1-(2,4,6-trimethyl-3,5-dinitrophenyl)ethanone
OPENEYE Name: 1-(2,4,6-trimethyl-3,5-dinitro-phenyl)ethanone
IUPAC Name: 1-(2,4,6-trimethyl-3,5-dinitrophenyl)ethanone
SYSTEMATIC NAME: 1-(2,4,6-trimethyl-3,5-dinitro-phenyl)ethanone
MOLECULAR FORMULA: C11H12N2O5
MOLECULAR WEIGHT: 252.22338
SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)C(=O)C
Structure:

CAS RN: 7498-51-3
CAS Name: 2-ethyl-3-methyl-2-propan-2-ylbutanamide
OPENEYE Name: 2-ethyl-2-isopropyl-3-methyl-butanamide
IUPAC Name: 2-ethyl-3-methyl-2-propan-2-ylbutanamide
SYSTEMATIC NAME: 2-ethyl-3-methyl-2-propan-2-yl-butanamide
MOLECULAR FORMULA: C10H21NO
MOLECULAR WEIGHT: 171.27984
SMILES: CCC(C(C)C)(C(C)C)C(=O)N
Structure:

CAS RN: 7498-50-2
CAS Name: 2-ethyl-3-methyl-2-propan-2-ylbutanoic acid
OPENEYE Name: 2-ethyl-2-isopropyl-3-methyl-butanoic acid
IUPAC Name: 2-ethyl-3-methyl-2-propan-2-ylbutanoic acid
SYSTEMATIC NAME: 2-ethyl-3-methyl-2-propan-2-yl-butanoic acid
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CCC(C(C)C)(C(C)C)C(=O)O
Structure:

CAS RN: 7498-49-9
CAS Name: 2-methoxycarbonyl-3-methyl-2-propan-2-ylbutanoic acid
OPENEYE Name: 2-isopropyl-2-methoxycarbonyl-3-methyl-butanoic acid
IUPAC Name: 2-methoxycarbonyl-3-methyl-2-propan-2-ylbutanoic acid
SYSTEMATIC NAME: 2-methoxycarbonyl-3-methyl-2-propan-2-yl-butanoic acid
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CC(C)C(C(C)C)(C(=O)O)C(=O)OC
Structure:

CAS RN: 7499-20-9
CAS Name: 2-hept-2-ynylpropanedioic acid
OPENEYE Name: 2-hept-2-ynylpropanedioic acid
IUPAC Name: 2-hept-2-ynylpropanedioic acid
SYSTEMATIC NAME: 2-hept-2-ynylpropanedioic acid
MOLECULAR FORMULA: C10H14O4
MOLECULAR WEIGHT: 198.21576
SMILES: CCCCC#CCC(C(=O)O)C(=O)O
Structure:

CAS RN: 7499-19-6
CAS Name: 2-methyl-3-phenylpropanamide
OPENEYE Name: 2-methyl-3-phenyl-propanamide
IUPAC Name: 2-methyl-3-phenylpropanamide
SYSTEMATIC NAME: 2-methyl-3-phenyl-propanamide
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC(CC1=CC=CC=C1)C(=O)N
Structure:

CAS RN: 7499-18-5
CAS Name: 4-carbamoyl-2,6-dimethylbenzoic acid
OPENEYE Name: 4-carbamoyl-2,6-dimethyl-benzoic acid
IUPAC Name: 4-carbamoyl-2,6-dimethylbenzoic acid
SYSTEMATIC NAME: 4-aminocarbonyl-2,6-dimethyl-benzoic acid
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC1=CC(=CC(=C1C(=O)O)C)C(=O)N
Structure:

CAS RN: 7504-36-1
CAS Name: 3,3,3-trichloro-2-(4-methylphenyl)propanoic acid
OPENEYE Name: 3,3,3-trichloro-2-(p-tolyl)propanoic acid
IUPAC Name: 3,3,3-trichloro-2-(4-methylphenyl)propanoic acid
SYSTEMATIC NAME: 3,3,3-tris(chloranyl)-2-(4-methylphenyl)propanoic acid
MOLECULAR FORMULA: C10H9Cl3O2
MOLECULAR WEIGHT: 267.53626
SMILES: CC1=CC=C(C=C1)C(C(=O)O)C(Cl)(Cl)Cl
Structure:

CAS RN: 7499-16-3
CAS Name: 3,3-dimethyl-2-propan-2-ylbutanamide
OPENEYE Name: 2-isopropyl-3,3-dimethyl-butanamide
IUPAC Name: 3,3-dimethyl-2-propan-2-ylbutanamide
SYSTEMATIC NAME: 3,3-dimethyl-2-propan-2-yl-butanamide
MOLECULAR FORMULA: C9H19NO
MOLECULAR WEIGHT: 157.25326
SMILES: CC(C)C(C(=O)N)C(C)(C)C
Structure:

CAS RN: 7499-15-2
CAS Name: 2-carbamoyl-3-methyl-2-propan-2-ylbutanoic acid
OPENEYE Name: 2-carbamoyl-2-isopropyl-3-methyl-butanoic acid
IUPAC Name: 2-carbamoyl-3-methyl-2-propan-2-ylbutanoic acid
SYSTEMATIC NAME: 2-aminocarbonyl-3-methyl-2-propan-2-yl-butanoic acid
MOLECULAR FORMULA: C9H17NO3
MOLECULAR WEIGHT: 187.23618
SMILES: CC(C)C(C(C)C)(C(=O)N)C(=O)O
Structure:

CAS RN: 866-29-5
CAS Name: 2-cyano-3-methyl-2-propan-2-ylbutanoic acid
OPENEYE Name: 2-cyano-2-isopropyl-3-methyl-butanoic acid
IUPAC Name: 2-cyano-3-methyl-2-propan-2-ylbutanoic acid
SYSTEMATIC NAME: 2-cyano-3-methyl-2-propan-2-yl-butanoic acid
MOLECULAR FORMULA: C9H15NO2
MOLECULAR WEIGHT: 169.2209
SMILES: CC(C)C(C#N)(C(C)C)C(=O)O
Structure:

CAS RN: 7499-12-9
CAS Name: 3,4-dimethyl-4-(trichloromethyl)-1-cyclohexa-2,5-dienone
OPENEYE Name: 3,4-dimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
IUPAC Name: 3,4-dimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 3,4-dimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C9H9Cl3O
MOLECULAR WEIGHT: 239.52616
SMILES: CC1=CC(=O)C=CC1(C)C(Cl)(Cl)Cl
Structure:

CAS RN: 7499-11-8
CAS Name: 4-chloro-2-(2,2,2-trichloroethyl)benzoic acid
OPENEYE Name: 4-chloro-2-(2,2,2-trichloroethyl)benzoic acid
IUPAC Name: 4-chloro-2-(2,2,2-trichloroethyl)benzoic acid
SYSTEMATIC NAME: 4-chloranyl-2-[2,2,2-tris(chloranyl)ethyl]benzoic acid
MOLECULAR FORMULA: C9H6Cl4O2
MOLECULAR WEIGHT: 287.95474
SMILES: C1=CC(=C(C=C1Cl)CC(Cl)(Cl)Cl)C(=O)O
Structure:

CAS RN: 7499-10-7
CAS Name: 3,4,4-trimethylpentanamide
OPENEYE Name: 3,4,4-trimethylpentanamide
IUPAC Name: 3,4,4-trimethylpentanamide
SYSTEMATIC NAME: 3,4,4-trimethylpentanamide
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CC(CC(=O)N)C(C)(C)C
Structure:

CAS RN: 7499-09-4
CAS Name: 6-octynoic acid
OPENEYE Name: oct-6-ynoic acid
IUPAC Name: oct-6-ynoic acid
SYSTEMATIC NAME: oct-6-ynoic acid
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CC#CCCCCC(=O)O
Structure:

CAS RN: 3274-12-2
CAS Name: 4-methyl-4-(trichloromethyl)-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
IUPAC Name: 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C8H7Cl3O
MOLECULAR WEIGHT: 225.49958
SMILES: CC1(C=CC(=O)C=C1)C(Cl)(Cl)Cl
Structure:

CAS RN: 7499-07-2
CAS Name: 4-chloro-2-methylbenzoic acid
OPENEYE Name: 4-chloro-2-methyl-benzoic acid
IUPAC Name: 4-chloro-2-methylbenzoic acid
SYSTEMATIC NAME: 4-chloranyl-2-methyl-benzoic acid
MOLECULAR FORMULA: C8H7ClO2
MOLECULAR WEIGHT: 170.59298
SMILES: CC1=C(C=CC(=C1)Cl)C(=O)O
Structure:

CAS RN: 830-39-7
CAS Name: 1-chloro-4-(1,1,2,2,2-pentachloroethyl)benzene
OPENEYE Name: 1-chloro-4-(1,1,2,2,2-pentachloroethyl)benzene
IUPAC Name: 1-chloro-4-(1,1,2,2,2-pentachloroethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-4-[1,1,2,2,2-pentakis(chloranyl)ethyl]benzene
MOLECULAR FORMULA: C8H4Cl6
MOLECULAR WEIGHT: 312.83536
SMILES: C1=CC(=CC=C1C(C(Cl)(Cl)Cl)(Cl)Cl)Cl
Structure:

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