[3-(cyclohexylmethyl)-2-oxidanylidene-pentyl] benzenesulfonate

Systemtic Name: [3-(cyclohexylmethyl)-2-oxidanylidene-pentyl] benzenesulfonate Openeye Name: [3-(cyclohexylmethyl)-2-oxo-pentyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(cyclohexylmethyl)-2-oxopentyl] ester IUPAC Name: [3-(cyclohexylmethyl)-2-oxopentyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(cyclohexylmethyl)-2-keto-pentyl] ester Formula: C18H26O4S MolecularWeight: 338.46164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCCCC1)C(=O)COS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(CC1CCCCC1)C(=O)COS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H26O4S/c1-2-16(13-15-9-5-3-6-10-15)18(19)14-22-23(20,21)17-11-7-4-8-12-17/h4,7-8,11-12,15-16H,2-3,5-6,9-10,13-14H2,1H3