[3-(4-methylphenyl)sulfonyloxy-5-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-(4-methylphenyl)sulfonyloxy-5-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate Openeye Name: [3-(p-tolylsulfonyloxy)-5-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-methylphenyl)sulfonyloxy-5-bicyclo[2.2.2]octanyl]methyl ester IUPAC Name: [3-(4-methylphenyl)sulfonyloxy-5-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-tosyloxy-5-bicyclo[2.2.2]octanyl)methyl ester Formula: C23H28O6S2 MolecularWeight: 464.59482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3CCC2C(C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3CCC2C(C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H28O6S2/c1-16-3-8-20(9-4-16)30(24,25)28-15-19-13-18-7-12-22(19)23(14-18)29-31(26,27)21-10-5-17(2)6-11-21/h3-6,8-11,18-19,22-23H,7,12-15H2,1-2H3