[2,5,5-trimethyl-3-(4-methylphenyl)sulfonyloxy-cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [2,5,5-trimethyl-3-(4-methylphenyl)sulfonyloxy-cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [2,5,5-trimethyl-3-(p-tolylsulfonyloxy)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,5,5-trimethyl-3-(4-methylphenyl)sulfonyloxycyclohexyl] ester IUPAC Name: [2,5,5-trimethyl-3-(4-methylphenyl)sulfonyloxycyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,5,5-trimethyl-3-tosyloxy-cyclohexyl) ester Formula: C23H30O6S2 MolecularWeight: 466.6107

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(CC1OS(=O)(=O)C2=CC=C(C=C2)C)(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1C(CC(CC1OS(=O)(=O)C2=CC=C(C=C2)C)(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H30O6S2/c1-16-6-10-19(11-7-16)30(24,25)28-21-14-23(4,5)15-22(18(21)3)29-31(26,27)20-12-8-17(2)9-13-20/h6-13,18,21-22H,14-15H2,1-5H3