octyl benzenesulfonate

Systemtic Name: octyl benzenesulfonate Openeye Name: octyl benzenesulfonate CAS Name: benzenesulfonic acid octyl ester IUPAC Name: octyl benzenesulfonate Traditional Name: benzenesulfonic acid octyl ester Formula: C14H22O3S MolecularWeight: 270.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCOS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H22O3S/c1-2-3-4-5-6-10-13-17-18(15,16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3