Saturday, July 28, 2012

http://ChemLookup.com Compounds




CAS RN: 7127-73-3
CAS Name: 9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
OPENEYE Name: 9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
IUPAC Name: 9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
SYSTEMATIC NAME: 9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
MOLECULAR FORMULA: C20H19N
MOLECULAR WEIGHT: 273.37156
SMILES: C1CC2CC3=C(CN2C1)C4=CC=CC=C4C5=CC=CC=C35
Structure:

CAS RN: 14675-48-0
CAS Name: 2-(hydroxymethyl)-5-(6-methyl-9-purinyl)oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(6-methylpurin-9-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14N4O4
MOLECULAR WEIGHT: 266.25326
SMILES: CC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 2768-63-0
CAS Name: 2,3-dimethylquinoxaline-5,8-dione
OPENEYE Name: 2,3-dimethylquinoxaline-5,8-dione
IUPAC Name: 2,3-dimethylquinoxaline-5,8-dione
SYSTEMATIC NAME: 2,3-dimethylquinoxaline-5,8-dione
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: CC1=NC2=C(C(=O)C=CC2=O)N=C1C
Structure:

CAS RN: 26558-07-6
CAS Name: 5,6-bis(2-hydroxyethylthio)-1H-benzimidazole-4,7-dione
OPENEYE Name: 5,6-bis(2-hydroxyethylsulfanyl)-1H-benzimidazole-4,7-dione
IUPAC Name: 5,6-bis(2-hydroxyethylsulfanyl)-1H-benzimidazole-4,7-dione
SYSTEMATIC NAME: 5,6-bis(2-hydroxyethylsulfanyl)-1H-benzimidazole-4,7-dione
MOLECULAR FORMULA: C11H12N2O4S2
MOLECULAR WEIGHT: 300.35398
SMILES: C1=NC2=C(N1)C(=O)C(=C(C2=O)SCCO)SCCO
Structure:

CAS RN: 5764-10-3
CAS Name: 10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
OPENEYE Name: 10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
IUPAC Name: 10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
SYSTEMATIC NAME: 10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: CC12CCC3C(C1CC(C2O)O)CCC4C3(CC=CC4)C
Structure:

CAS RN: 16722-44-4
CAS Name: 1-(2-quinolinyl)-N-(3-quinolinyl)methanimine
OPENEYE Name: 1-(2-quinolyl)-N-(3-quinolyl)methanimine
IUPAC Name: 1-quinolin-2-yl-N-quinolin-3-ylmethanimine
SYSTEMATIC NAME: 1-quinolin-2-yl-N-quinolin-3-yl-methanimine
MOLECULAR FORMULA: C19H13N3
MOLECULAR WEIGHT: 283.32662
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C=NC3=CC4=CC=CC=C4N=C3
Structure:

CAS RN: 15317-16-5
CAS Name: N-(2-chloroethyl)-3,5-bis(trifluoromethyl)benzamide
OPENEYE Name: N-(2-chloroethyl)-3,5-bis(trifluoromethyl)benzamide
IUPAC Name: N-(2-chloroethyl)-3,5-bis(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-(2-chloroethyl)-3,5-bis(trifluoromethyl)benzamide
MOLECULAR FORMULA: C11H8ClF6NO
MOLECULAR WEIGHT: 319.630739
SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NCCCl
Structure:

CAS RN: 16958-54-6
CAS Name: iodomethylboronic acid
OPENEYE Name: iodomethylboronic acid
IUPAC Name: iodomethylboronic acid
SYSTEMATIC NAME: iodanylmethylboronic acid
MOLECULAR FORMULA: CH4BIO2
MOLECULAR WEIGHT: 185.75673
SMILES: B(CI)(O)O
Structure:

CAS RN: 19789-59-4
CAS Name: 2-amino-2-(4-methoxyphenyl)acetic acid
OPENEYE Name: 2-amino-2-(4-methoxyphenyl)acetic acid
IUPAC Name: 2-amino-2-(4-methoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(4-methoxyphenyl)ethanoic acid
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: COC1=CC=C(C=C1)C(C(=O)O)N
Structure:

CAS RN: 7314-43-4
CAS Name: 2-amino-2-(3-methoxyphenyl)acetic acid
OPENEYE Name: 2-amino-2-(3-methoxyphenyl)acetic acid
IUPAC Name: 2-amino-2-(3-methoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(3-methoxyphenyl)ethanoic acid
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: COC1=CC=CC(=C1)C(C(=O)O)N
Structure:

CAS RN: 7292-74-2
CAS Name: 2-amino-2-(3-fluorophenyl)acetic acid
OPENEYE Name: 2-amino-2-(3-fluorophenyl)acetic acid
IUPAC Name: 2-amino-2-(3-fluorophenyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(3-fluorophenyl)ethanoic acid
MOLECULAR FORMULA: C8H8FNO2
MOLECULAR WEIGHT: 169.153023
SMILES: C1=CC(=CC(=C1)F)C(C(=O)O)N
Structure:

CAS RN: 3042-57-7
CAS Name: 1-nitro-4-[(phenylmethylthio)methyl]benzene
OPENEYE Name: 1-(benzylsulfanylmethyl)-4-nitro-benzene
IUPAC Name: 1-(benzylsulfanylmethyl)-4-nitrobenzene
SYSTEMATIC NAME: 1-nitro-4-[(phenylmethylsulfanyl)methyl]benzene
MOLECULAR FORMULA: C14H13NO2S
MOLECULAR WEIGHT: 259.32352
SMILES: C1=CC=C(C=C1)CSCC2=CC=C(C=C2)[N+](=O)[O-]
Structure:

CAS RN: 68201-83-2
CAS Name: 1-cyclohexylsulfonyl-4-methylbenzene
OPENEYE Name: 1-cyclohexylsulfonyl-4-methyl-benzene
IUPAC Name: 1-cyclohexylsulfonyl-4-methylbenzene
SYSTEMATIC NAME: 1-cyclohexylsulfonyl-4-methyl-benzene
MOLECULAR FORMULA: C13H18O2S
MOLECULAR WEIGHT: 238.34582
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2CCCCC2
Structure:

CAS RN: 2098-51-3
CAS Name: 1-(1-aziridinyl)-2,2,2-trifluoroethanol
OPENEYE Name: 1-(aziridin-1-yl)-2,2,2-trifluoro-ethanol
IUPAC Name: 1-(aziridin-1-yl)-2,2,2-trifluoroethanol
SYSTEMATIC NAME: 1-(aziridin-1-yl)-2,2,2-tris(fluoranyl)ethanol
MOLECULAR FORMULA: C4H6F3NO
MOLECULAR WEIGHT: 141.09175
SMILES: C1CN1C(C(F)(F)F)O
Structure:

CAS RN: 20993-60-6
CAS Name: 2-methyl-3-phenylaziridine
OPENEYE Name: 2-methyl-3-phenyl-aziridine
IUPAC Name: 2-methyl-3-phenylaziridine
SYSTEMATIC NAME: 2-methyl-3-phenyl-aziridine
MOLECULAR FORMULA: C9H11N
MOLECULAR WEIGHT: 133.19034
SMILES: CC1C(N1)C2=CC=CC=C2
Structure:

CAS RN: 19691-92-0
CAS Name: 2-(4-methyl-2-thiazolyl)benzo[de]isoquinoline-1,3-dione
OPENEYE Name: 2-(4-methylthiazol-2-yl)benzo[de]isoquinoline-1,3-dione
IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)benzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-(4-methyl-1,3-thiazol-2-yl)benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C16H10N2O2S
MOLECULAR WEIGHT: 294.3278
SMILES: CC1=CSC(=N1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
Structure:

CAS RN: 4494-18-2
CAS Name: 1-isoquinolinecarboxaldehyde
OPENEYE Name: isoquinoline-1-carbaldehyde
IUPAC Name: isoquinoline-1-carbaldehyde
SYSTEMATIC NAME: isoquinoline-1-carbaldehyde
MOLECULAR FORMULA: C10H7NO
MOLECULAR WEIGHT: 157.16868
SMILES: C1=CC=C2C(=C1)C=CN=C2C=O
Structure:

CAS RN: 13389-09-8
CAS Name: 5-(6,8-diamino-9-purinyl)-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(6,8-diaminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(6,8-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-[6,8-bis(azanyl)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H14N6O3
MOLECULAR WEIGHT: 266.25656
SMILES: C1C(C(OC1N2C3=C(C(=NC=N3)N)N=C2N)CO)O
Structure:

CAS RN: 1682-66-2
CAS Name: 2-(hydroxymethyl)-5-(4-methoxy-7-pyrrolo[2,3-d]pyrimidinyl)oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C12H15N3O5
MOLECULAR WEIGHT: 281.2646
SMILES: COC1=NC=NC2=C1C=CN2C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 22976-70-1
CAS Name: 4-(2-amino-2-carboxyethyl)benzoic acid
OPENEYE Name: 4-(2-amino-2-carboxy-ethyl)benzoic acid
IUPAC Name: 4-(2-amino-2-carboxyethyl)benzoic acid
SYSTEMATIC NAME: 4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)benzoic acid
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: C1=CC(=CC=C1CC(C(=O)O)N)C(=O)O
Structure:

CAS RN: 18910-14-0
CAS Name: 3-(2-bromo-2-carboxyethyl)benzoic acid
OPENEYE Name: 3-(2-bromo-2-carboxy-ethyl)benzoic acid
IUPAC Name: 3-(2-bromo-2-carboxyethyl)benzoic acid
SYSTEMATIC NAME: 3-(2-bromanyl-3-oxidanyl-3-oxidanylidene-propyl)benzoic acid
MOLECULAR FORMULA: C10H9BrO4
MOLECULAR WEIGHT: 273.08006
SMILES: C1=CC(=CC(=C1)CC(C(=O)O)Br)C(=O)O
Structure:

CAS RN: 16979-06-9
CAS Name: 1,2,3,3a,4,5-hexahydroacenaphthylen-1-ol
OPENEYE Name: 1,2,3,3a,4,5-hexahydroacenaphthylen-1-ol
IUPAC Name: 1,2,3,3a,4,5-hexahydroacenaphthylen-1-ol
SYSTEMATIC NAME: 1,2,3,3a,4,5-hexahydroacenaphthylen-1-ol
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: C1CC2CC(C3=CC=CC(=C23)C1)O
Structure:

CAS RN: 848-21-5
CAS Name: 17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 17-ethynyl-13-methyl-17-oxidanyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H22O2
MOLECULAR WEIGHT: 294.38748
SMILES: CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O
Structure:

CAS RN: 23746-81-8
CAS Name: 2-(2-naphthalenyl)-1H-indole
OPENEYE Name: 2-(2-naphthyl)-1H-indole
IUPAC Name: 2-naphthalen-2-yl-1H-indole
SYSTEMATIC NAME: 2-naphthalen-2-yl-1H-indole
MOLECULAR FORMULA: C18H13N
MOLECULAR WEIGHT: 243.30252
SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4N3
Structure:

CAS RN: 149155-65-7
CAS Name: [1,1-bis(phenylthio)ethylthio]benzene
OPENEYE Name: 1,1-bis(phenylsulfanyl)ethylsulfanylbenzene
IUPAC Name: 1,1-bis(phenylsulfanyl)ethylsulfanylbenzene
SYSTEMATIC NAME: 1,1-bis(phenylsulfanyl)ethylsulfanylbenzene
MOLECULAR FORMULA: C20H18S3
MOLECULAR WEIGHT: 354.55192
SMILES: CC(SC1=CC=CC=C1)(SC2=CC=CC=C2)SC3=CC=CC=C3
Structure:

CAS RN: 85053-10-7
CAS Name: 2-[3-(phenylthio)propyl]isoindole-1,3-dione
OPENEYE Name: 2-(3-phenylsulfanylpropyl)isoindoline-1,3-dione
IUPAC Name: 2-(3-phenylsulfanylpropyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(3-phenylsulfanylpropyl)isoindole-1,3-dione
MOLECULAR FORMULA: C17H15NO2S
MOLECULAR WEIGHT: 297.3715
SMILES: C1=CC=C(C=C1)SCCCN2C(=O)C3=CC=CC=C3C2=O
Structure:

CAS RN: 61719-86-6
CAS Name: acetic acid 1-(1,4-dioxaspiro[4.5]decan-10-yl)propan-2-yl ester
OPENEYE Name: [2-(1,4-dioxaspiro[4.5]decan-10-yl)-1-methyl-ethyl] acetate
IUPAC Name: 1-(1,4-dioxaspiro[4.5]decan-10-yl)propan-2-yl acetate
SYSTEMATIC NAME: 1-(1,4-dioxaspiro[4.5]decan-10-yl)propan-2-yl ethanoate
MOLECULAR FORMULA: C13H22O4
MOLECULAR WEIGHT: 242.31138
SMILES: CC(CC1CCCCC12OCCO2)OC(=O)C
Structure:

CAS RN: 78388-31-5
CAS Name: 1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid
OPENEYE Name: 1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid
IUPAC Name: 1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid
SYSTEMATIC NAME: 1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: C1C=CCC2(C1(CC=CC2)C(=O)O)C(=O)O
Structure:

CAS RN: 79638-12-3
CAS Name: 1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid
OPENEYE Name: 1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid
IUPAC Name: 1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid
SYSTEMATIC NAME: 1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: C1C=CCC2(C1(CC=CC2)C(=O)O)C(=O)O
Structure:

CAS RN: 3657-08-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12O3
MOLECULAR WEIGHT: 204.22188
SMILES: C1C=CCC23C1(CC=CC2)C(=O)OC3=O
Structure:

CAS RN: 4425-15-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: C1CCN2C3=C(C=CC=C3C1)C(=O)C2=O
Structure:

CAS RN: 61719-77-5
CAS Name: 1-(1,4-dioxaspiro[4.5]decan-10-yl)-2-propanol
OPENEYE Name: 1-(1,4-dioxaspiro[4.5]decan-10-yl)propan-2-ol
IUPAC Name: 1-(1,4-dioxaspiro[4.5]decan-10-yl)propan-2-ol
SYSTEMATIC NAME: 1-(1,4-dioxaspiro[4.5]decan-10-yl)propan-2-ol
MOLECULAR FORMULA: C11H20O3
MOLECULAR WEIGHT: 200.2747
SMILES: CC(CC1CCCCC12OCCO2)O
Structure:

CAS RN: 25474-45-7
CAS Name: 1,2,3-tribromo-4,5,6-trimethoxybenzene
OPENEYE Name: 1,2,3-tribromo-4,5,6-trimethoxy-benzene
IUPAC Name: 1,2,3-tribromo-4,5,6-trimethoxybenzene
SYSTEMATIC NAME: 1,2,3-tris(bromanyl)-4,5,6-trimethoxy-benzene
MOLECULAR FORMULA: C9H9Br3O3
MOLECULAR WEIGHT: 404.87796
SMILES: COC1=C(C(=C(C(=C1OC)Br)Br)Br)OC
Structure:

CAS RN: 14679-41-5
CAS Name: 3a,4,7,7a-tetrahydro-3H-isobenzofuran-1-one
OPENEYE Name: 3a,4,7,7a-tetrahydro-3H-isobenzofuran-1-one
IUPAC Name: 3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: C1C=CCC2C1COC2=O
Structure:

CAS RN: 22061-78-5
CAS Name: 2-bromo-3-methylphenol
OPENEYE Name: 2-bromo-3-methyl-phenol
IUPAC Name: 2-bromo-3-methylphenol
SYSTEMATIC NAME: 2-bromanyl-3-methyl-phenol
MOLECULAR FORMULA: C7H7BrO
MOLECULAR WEIGHT: 187.03388
SMILES: CC1=C(C(=CC=C1)O)Br
Structure:

CAS RN: 17799-35-8
CAS Name: N-[bis(1-aziridinyl)phosphoryl]-2-pyridinamine
OPENEYE Name: N-[bis(aziridin-1-yl)phosphoryl]pyridin-2-amine
IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]pyridin-2-amine
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphoryl]pyridin-2-amine
MOLECULAR FORMULA: C9H13N4OP
MOLECULAR WEIGHT: 224.199481
SMILES: C1CN1P(=O)(NC2=CC=CC=N2)N3CC3
Structure:

CAS RN: 6980-18-3
CAS Name: 2-amino-2-[[5-amino-2-methyl-6-(2,3,4,5,6-pentahydroxycyclohexyl)oxy-3-oxanyl]imino]acetic acid
OPENEYE Name: 2-amino-2-[5-amino-2-methyl-6-(2,3,4,5,6-pentahydroxycyclohexoxy)tetrahydropyran-3-yl]imino-acetic acid
IUPAC Name: 2-amino-2-[5-amino-2-methyl-6-(2,3,4,5,6-pentahydroxycyclohexyl)oxyoxan-3-yl]iminoacetic acid
SYSTEMATIC NAME: 2-azanyl-2-[5-azanyl-2-methyl-6-[2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-oxan-3-yl]imino-ethanoic acid
MOLECULAR FORMULA: C14H25N3O9
MOLECULAR WEIGHT: 379.363
SMILES: CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N
Structure:

CAS RN: 2969-65-5
CAS Name: 4,7-difluoro-9H-fluoren-2-amine
OPENEYE Name: 4,7-difluoro-9H-fluoren-2-amine
IUPAC Name: 4,7-difluoro-9H-fluoren-2-amine
SYSTEMATIC NAME: 4,7-bis(fluoranyl)-9H-fluoren-2-amine
MOLECULAR FORMULA: C13H9F2N
MOLECULAR WEIGHT: 217.214066
SMILES: C1C2=CC(=CC(=C2C3=C1C=C(C=C3)F)F)N
Structure:

CAS RN: 22771-43-3
CAS Name: 3,8-dichloro-5H-phenanthridin-6-one
OPENEYE Name: 3,8-dichloro-5H-phenanthridin-6-one
IUPAC Name: 3,8-dichloro-5H-phenanthridin-6-one
SYSTEMATIC NAME: 3,8-bis(chloranyl)-5H-phenanthridin-6-one
MOLECULAR FORMULA: C13H7Cl2NO
MOLECULAR WEIGHT: 264.10678
SMILES: C1=CC2=C(C=C1Cl)C(=O)NC3=C2C=CC(=C3)Cl
Structure:

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