[3-[3,4-bis(fluoranyl)phenyl]-1-[(4-methylphenyl)sulfonyloxymethyl]-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-[3,4-bis(fluoranyl)phenyl]-1-[(4-methylphenyl)sulfonyloxymethyl]-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3-(3,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-1-(p-tolylsulfonyloxymethyl)cyclopent-3-en-1-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(3,4-difluorophenyl)-1-[(4-methylphenyl)sulfonyloxymethyl]-4-(4-methylsulfonylphenyl)-1-cyclopent-3-enyl]methyl ester IUPAC Name: [3-(3,4-difluorophenyl)-1-[(4-methylphenyl)sulfonyloxymethyl]-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(3,4-difluorophenyl)-4-(4-mesylphenyl)-1-(tosyloxymethyl)cyclopent-3-en-1-yl]methyl ester Formula: C34H32F2O8S3 MolecularWeight: 702.804886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC(=C(C2)C3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)S(=O)(=O)C)COS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC(=C(C2)C3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)S(=O)(=O)C)COS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C34H32F2O8S3/c1-23-4-11-28(12-5-23)46(39,40)43-21-34(22-44-47(41,42)29-13-6-24(2)7-14-29)19-30(25-8-15-27(16-9-25)45(3,37)38)31(20-34)26-10-17-32(35)33(36)18-26/h4-18H,19-22H2,1-3H3