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

Systemtic Name: [4-(4-methylcyclohexyl)-2-oxidanylidene-butyl] 4-methylbenzenesulfonate Openeye Name: [4-(4-methylcyclohexyl)-2-oxo-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-methylcyclohexyl)-2-oxobutyl] ester IUPAC Name: [4-(4-methylcyclohexyl)-2-oxobutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-4-(4-methylcyclohexyl)butyl] ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O4S/c1-14-3-7-16(8-4-14)9-10-17(19)13-22-23(20,21)18-11-5-15(2)6-12-18/h5-6,11-12,14,16H,3-4,7-10,13H2,1-2H3