[3-(4-methylcyclohexyl)-2-oxidanylidene-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(4-methylcyclohexyl)-2-oxidanylidene-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(4-methylcyclohexyl)-2-oxo-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-methylcyclohexyl)-2-oxopropyl] ester IUPAC Name: [3-(4-methylcyclohexyl)-2-oxopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-3-(4-methylcyclohexyl)propyl] ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4S/c1-13-3-7-15(8-4-13)11-16(18)12-21-22(19,20)17-9-5-14(2)6-10-17/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3