[4-(4-methylcyclohexyl)-2-oxidanylidene-pentyl] benzenesulfonate

Systemtic Name: [4-(4-methylcyclohexyl)-2-oxidanylidene-pentyl] benzenesulfonate Openeye Name: [4-(4-methylcyclohexyl)-2-oxo-pentyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-(4-methylcyclohexyl)-2-oxopentyl] ester IUPAC Name: [4-(4-methylcyclohexyl)-2-oxopentyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-keto-4-(4-methylcyclohexyl)pentyl] ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O4S/c1-14-8-10-16(11-9-14)15(2)12-17(19)13-22-23(20,21)18-6-4-3-5-7-18/h3-7,14-16H,8-13H2,1-2H3