[2-[(4-methylphenyl)sulfonyloxymethyl]-3,6-diphenyl-cyclohexyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-[(4-methylphenyl)sulfonyloxymethyl]-3,6-diphenyl-cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [3,6-diphenyl-2-(p-tolylsulfonyloxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4-methylphenyl)sulfonyloxymethyl]-3,6-diphenylcyclohexyl]methyl ester IUPAC Name: [2-[(4-methylphenyl)sulfonyloxymethyl]-3,6-diphenylcyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3,6-diphenyl-2-(tosyloxymethyl)cyclohexyl]methyl ester Formula: C34H36O6S2 MolecularWeight: 604.77604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(CCC(C2COS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(CCC(C2COS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H36O6S2/c1-25-13-17-29(18-14-25)41(35,36)39-23-33-31(27-9-5-3-6-10-27)21-22-32(28-11-7-4-8-12-28)34(33)24-40-42(37,38)30-19-15-26(2)16-20-30/h3-20,31-34H,21-24H2,1-2H3