[3,3-dimethyl-5-(4-methylphenyl)sulfonyloxy-cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [3,3-dimethyl-5-(4-methylphenyl)sulfonyloxy-cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [3,3-dimethyl-5-(p-tolylsulfonyloxy)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,3-dimethyl-5-(4-methylphenyl)sulfonyloxycyclohexyl] ester IUPAC Name: [3,3-dimethyl-5-(4-methylphenyl)sulfonyloxycyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,3-dimethyl-5-tosyloxy-cyclohexyl) ester Formula: C22H28O6S2 MolecularWeight: 452.58412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CC(C2)(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CC(C2)(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28O6S2/c1-16-5-9-20(10-6-16)29(23,24)27-18-13-19(15-22(3,4)14-18)28-30(25,26)21-11-7-17(2)8-12-21/h5-12,18-19H,13-15H2,1-4H3