[3-methyl-3-(4-methylcyclohexyl)-2-oxidanylidene-butyl] 4-methylbenzenesulfonate

Systemtic Name: [3-methyl-3-(4-methylcyclohexyl)-2-oxidanylidene-butyl] 4-methylbenzenesulfonate Openeye Name: [3-methyl-3-(4-methylcyclohexyl)-2-oxo-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-methyl-3-(4-methylcyclohexyl)-2-oxobutyl] ester IUPAC Name: [3-methyl-3-(4-methylcyclohexyl)-2-oxobutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-3-methyl-3-(4-methylcyclohexyl)butyl] ester Formula: C19H28O4S MolecularWeight: 352.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(C)(C)C(=O)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1CCC(CC1)C(C)(C)C(=O)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H28O4S/c1-14-5-9-16(10-6-14)19(3,4)18(20)13-23-24(21,22)17-11-7-15(2)8-12-17/h7-8,11-12,14,16H,5-6,9-10,13H2,1-4H3