[3-(2-methylcyclohexyl)-2-oxidanylidene-propyl] benzenesulfonate

Systemtic Name: [3-(2-methylcyclohexyl)-2-oxidanylidene-propyl] benzenesulfonate Openeye Name: [3-(2-methylcyclohexyl)-2-oxo-propyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(2-methylcyclohexyl)-2-oxopropyl] ester IUPAC Name: [3-(2-methylcyclohexyl)-2-oxopropyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-keto-3-(2-methylcyclohexyl)propyl] ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1CC(=O)COS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1CCCCC1CC(=O)COS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H22O4S/c1-13-7-5-6-8-14(13)11-15(17)12-20-21(18,19)16-9-3-2-4-10-16/h2-4,9-10,13-14H,5-8,11-12H2,1H3