Wednesday, May 30, 2012

http://ChemLookup.com Compounds




CAS RN: 67886-69-5
CAS Name: 2-iodo-6-methoxynaphthalene
OPENEYE Name: 2-iodo-6-methoxy-naphthalene
IUPAC Name: 2-iodo-6-methoxynaphthalene
SYSTEMATIC NAME: 2-iodanyl-6-methoxy-naphthalene
MOLECULAR FORMULA: C11H9IO
MOLECULAR WEIGHT: 284.09303
SMILES: COC1=CC2=C(C=C1)C=C(C=C2)I
Structure:

CAS RN: 35480-23-0
CAS Name: acetic acid 2-naphthalenylmethyl ester
OPENEYE Name: 2-naphthylmethyl acetate
IUPAC Name: naphthalen-2-ylmethyl acetate
SYSTEMATIC NAME: naphthalen-2-ylmethyl ethanoate
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: CC(=O)OCC1=CC2=CC=CC=C2C=C1
Structure:

CAS RN: 3335-68-0
CAS Name: N-(cyclohexylmethylideneamino)-2,4-dinitroaniline
OPENEYE Name: N-(cyclohexylmethyleneamino)-2,4-dinitro-aniline
IUPAC Name: N-(cyclohexylmethylideneamino)-2,4-dinitroaniline
SYSTEMATIC NAME: N-(cyclohexylmethylideneamino)-2,4-dinitro-aniline
MOLECULAR FORMULA: C13H16N4O4
MOLECULAR WEIGHT: 292.29054
SMILES: C1CCC(CC1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 20498-55-9
CAS Name: 2-nitroso-4-oxa-2-azaspiro[4.5]decan-3-one
OPENEYE Name: 2-nitroso-4-oxa-2-azaspiro[4.5]decan-3-one
IUPAC Name: 2-nitroso-4-oxa-2-azaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 2-nitroso-4-oxa-2-azaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C8H12N2O3
MOLECULAR WEIGHT: 184.19248
SMILES: C1CCC2(CC1)CN(C(=O)O2)N=O
Structure:

CAS RN: 24247-68-5
CAS Name: 4-oxa-2-azaspiro[4.5]decan-3-one
OPENEYE Name: 4-oxa-2-azaspiro[4.5]decan-3-one
IUPAC Name: 4-oxa-2-azaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 4-oxa-2-azaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: C1CCC2(CC1)CNC(=O)O2
Structure:

CAS RN: 35282-98-5
CAS Name: 2,3-dibromo-3-(2-chlorophenyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 2,3-dibromo-3-(2-chlorophenyl)propanoate
IUPAC Name: ethyl 2,3-dibromo-3-(2-chlorophenyl)propanoate
SYSTEMATIC NAME: ethyl 2,3-bis(bromanyl)-3-(2-chlorophenyl)propanoate
MOLECULAR FORMULA: C11H11Br2ClO2
MOLECULAR WEIGHT: 370.46484
SMILES: CCOC(=O)C(C(C1=CC=CC=C1Cl)Br)Br
Structure:

CAS RN: 3807-44-1
CAS Name: carbamimidothioic acid (phenylmethyl) ester; nonanoic acid
OPENEYE Name: 2-benzylisothiourea; nonanoic acid
IUPAC Name: benzyl carbamimidothioate; nonanoic acid
SYSTEMATIC NAME: nonanoic acid; (phenylmethyl) carbamimidothioate
MOLECULAR FORMULA: C17H28N2O2S
MOLECULAR WEIGHT: 324.48142
SMILES: CCCCCCCCC(=O)O.C1=CC=C(C=C1)CSC(=N)N
Structure:

CAS RN: 58024-07-0
CAS Name: 2-methylbenzo[a]anthracene-7,12-dione
OPENEYE Name: 2-methylbenzo[a]anthracene-7,12-dione
IUPAC Name: 2-methylbenzo[a]anthracene-7,12-dione
SYSTEMATIC NAME: 2-methylbenzo[a]anthracene-7,12-dione
MOLECULAR FORMULA: C19H12O2
MOLECULAR WEIGHT: 272.29738
SMILES: CC1=CC2=C(C=C1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O
Structure:

CAS RN: 29338-78-1
CAS Name: 3,5-dinitrobenzoic acid (1-ethenylcyclohexyl) ester
OPENEYE Name: (1-vinylcyclohexyl) 3,5-dinitrobenzoate
IUPAC Name: (1-ethenylcyclohexyl) 3,5-dinitrobenzoate
SYSTEMATIC NAME: (1-ethenylcyclohexyl) 3,5-dinitrobenzoate
MOLECULAR FORMULA: C15H16N2O6
MOLECULAR WEIGHT: 320.29734
SMILES: C=CC1(CCCCC1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 93433-64-8
CAS Name: 1-(2-methylphenyl)-2-phenyl-1-propanone
OPENEYE Name: 1-(o-tolyl)-2-phenyl-propan-1-one
IUPAC Name: 1-(2-methylphenyl)-2-phenylpropan-1-one
SYSTEMATIC NAME: 1-(2-methylphenyl)-2-phenyl-propan-1-one
MOLECULAR FORMULA: C16H16O
MOLECULAR WEIGHT: 224.29764
SMILES: CC1=CC=CC=C1C(=O)C(C)C2=CC=CC=C2
Structure:

CAS RN: 30934-48-6
CAS Name: 8-formyl-1-naphthalenecarboxylic acid methyl ester
OPENEYE Name: methyl 8-formylnaphthalene-1-carboxylate
IUPAC Name: methyl 8-formylnaphthalene-1-carboxylate
SYSTEMATIC NAME: methyl 8-methanoylnaphthalene-1-carboxylate
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: COC(=O)C1=CC=CC2=C1C(=CC=C2)C=O
Structure:

CAS RN: 66271-47-4
CAS Name: 1,4,5-trimethylphenanthrene
OPENEYE Name: 1,4,5-trimethylphenanthrene
IUPAC Name: 1,4,5-trimethylphenanthrene
SYSTEMATIC NAME: 1,4,5-trimethylphenanthrene
MOLECULAR FORMULA: C17H16
MOLECULAR WEIGHT: 220.30894
SMILES: CC1=C2C=CC3=C(C2=C(C=C1)C)C(=CC=C3)C
Structure:

CAS RN: 31553-19-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: COC1C2=CC=CC3=C2C(=CC=C3)C(=O)O1
Structure:

CAS RN: 2348-19-8
CAS Name: 2,4-dinitro-N-(nonylideneamino)aniline
OPENEYE Name: 2,4-dinitro-N-(nonylideneamino)aniline
IUPAC Name: 2,4-dinitro-N-(nonylideneamino)aniline
SYSTEMATIC NAME: 2,4-dinitro-N-(nonylideneamino)aniline
MOLECULAR FORMULA: C15H22N4O4
MOLECULAR WEIGHT: 322.35958
SMILES: CCCCCCCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 4122-57-0
CAS Name: 3-methoxy-3H-isobenzofuran-1-one
OPENEYE Name: 3-methoxy-3H-isobenzofuran-1-one
IUPAC Name: 3-methoxy-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3-methoxy-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: COC1C2=CC=CC=C2C(=O)O1
Structure:

CAS RN: 3918-78-3
CAS Name: pyrene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: pyrene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: pyrene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: pyrene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C29H15N3O7
MOLECULAR WEIGHT: 517.4453
SMILES: C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 6671-11-0
CAS Name: 4,5-dimethylphenanthrene; 2,4,6-trinitrophenol
OPENEYE Name: 4,5-dimethylphenanthrene; picric acid
IUPAC Name: 4,5-dimethylphenanthrene; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 4,5-dimethylphenanthrene; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C22H17N3O7
MOLECULAR WEIGHT: 435.38628
SMILES: CC1=CC=CC2=C1C3=C(C=CC=C3C)C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 40355-32-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12O3
MOLECULAR WEIGHT: 264.27538
SMILES: COC1C2=CC=CC3=C2C4=C(C=CC=C4C(=O)O1)C=C3
Structure:

CAS RN: 40420-03-9
CAS Name: benzo[c]phenanthrene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: benzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: benzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: benzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C31H17N3O7
MOLECULAR WEIGHT: 543.48258
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 5251-84-3
CAS Name: 3,5-dinitrobenzoic acid oct-3-ynyl ester
OPENEYE Name: oct-3-ynyl 3,5-dinitrobenzoate
IUPAC Name: oct-3-ynyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: oct-3-ynyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C15H16N2O6
MOLECULAR WEIGHT: 320.29734
SMILES: CCCCC#CCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 91803-12-2
CAS Name: 3,5-dinitrobenzoic acid hex-2-ynyl ester
OPENEYE Name: hex-2-ynyl 3,5-dinitrobenzoate
IUPAC Name: hex-2-ynyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: hex-2-ynyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C13H12N2O6
MOLECULAR WEIGHT: 292.24418
SMILES: CCCC#CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 4230-11-9
CAS Name: 11-methylsulfonylundecanoic acid
OPENEYE Name: 11-methylsulfonylundecanoic acid
IUPAC Name: 11-methylsulfonylundecanoic acid
SYSTEMATIC NAME: 11-methylsulfonylundecanoic acid
MOLECULAR FORMULA: C12H24O4S
MOLECULAR WEIGHT: 264.38156
SMILES: CS(=O)(=O)CCCCCCCCCCC(=O)O
Structure:

CAS RN: 80683-81-4
CAS Name: 11-(methylthio)undecanoic acid
OPENEYE Name: 11-methylsulfanylundecanoic acid
IUPAC Name: 11-methylsulfanylundecanoic acid
SYSTEMATIC NAME: 11-methylsulfanylundecanoic acid
MOLECULAR FORMULA: C12H24O2S
MOLECULAR WEIGHT: 232.38276
SMILES: CSCCCCCCCCCCC(=O)O
Structure:

CAS RN: 16930-36-2
CAS Name: N-phenylcarbamic acid 3,7-dimethyloct-6-enyl ester
OPENEYE Name: 3,7-dimethyloct-6-enyl N-phenylcarbamate
IUPAC Name: 3,7-dimethyloct-6-enyl N-phenylcarbamate
SYSTEMATIC NAME: 3,7-dimethyloct-6-enyl N-phenylcarbamate
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CC(CCC=C(C)C)CCOC(=O)NC1=CC=CC=C1
Structure:

CAS RN: 7512-00-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: C1CC2C3C(C1O2)C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54
Structure:

CAS RN: 18304-47-7
CAS Name: N,N-dimethylcarbamic acid (propan-2-ylideneamino) ester
OPENEYE Name: (isopropylideneamino) N,N-dimethylcarbamate
IUPAC Name: (propan-2-ylideneamino) N,N-dimethylcarbamate
SYSTEMATIC NAME: (propan-2-ylideneamino) N,N-dimethylcarbamate
MOLECULAR FORMULA: C6H12N2O2
MOLECULAR WEIGHT: 144.17168
SMILES: CC(=NOC(=O)N(C)C)C
Structure:

CAS RN: 71310-31-1
CAS Name: benzoic acid (10-benzoyloxy-9-phenanthrenyl) ester
OPENEYE Name: (10-benzoyloxy-9-phenanthryl) benzoate
IUPAC Name: (10-benzoyloxyphenanthren-9-yl) benzoate
SYSTEMATIC NAME: [10-(phenylcarbonyloxy)phenanthren-9-yl] benzoate
MOLECULAR FORMULA: C28H18O4
MOLECULAR WEIGHT: 418.44012
SMILES: C1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C4=CC=CC=C42)OC(=O)C5=CC=CC=C5
Structure:

CAS RN: 6226-44-4
CAS Name: [butoxy(diphenyl)methyl]benzene
OPENEYE Name: [butoxy(diphenyl)methyl]benzene
IUPAC Name: [butoxy(diphenyl)methyl]benzene
SYSTEMATIC NAME: [butoxy(diphenyl)methyl]benzene
MOLECULAR FORMULA: C23H24O
MOLECULAR WEIGHT: 316.43606
SMILES: CCCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 19672-49-2
CAS Name: 4-[hydroxy(diphenyl)methyl]benzoic acid
OPENEYE Name: 4-[hydroxy(diphenyl)methyl]benzoic acid
IUPAC Name: 4-[hydroxy(diphenyl)methyl]benzoic acid
SYSTEMATIC NAME: 4-[oxidanyl(diphenyl)methyl]benzoic acid
MOLECULAR FORMULA: C20H16O3
MOLECULAR WEIGHT: 304.33924
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C(=O)O)O
Structure:

CAS RN: 4773-38-0
CAS Name: 2-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
OPENEYE Name: 2-[(2-hydroxy-5-isopropyl-phenyl)methyl]-4-isopropyl-phenol
IUPAC Name: 2-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
SYSTEMATIC NAME: 2-[(2-oxidanyl-5-propan-2-yl-phenyl)methyl]-4-propan-2-yl-phenol
MOLECULAR FORMULA: C19H24O2
MOLECULAR WEIGHT: 284.39266
SMILES: CC(C)C1=CC(=C(C=C1)O)CC2=C(C=CC(=C2)C(C)C)O
Structure:

CAS RN: 2346-67-0
CAS Name: 2-[oxo-(2,4,6-trimethylphenyl)methyl]benzoic acid
OPENEYE Name: 2-(2,4,6-trimethylbenzoyl)benzoic acid
IUPAC Name: 2-(2,4,6-trimethylbenzoyl)benzoic acid
SYSTEMATIC NAME: 2-(2,4,6-trimethylphenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: CC1=CC(=C(C(=C1)C)C(=O)C2=CC=CC=C2C(=O)O)C
Structure:

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