pentadecyl benzenesulfonate

Systemtic Name: pentadecyl benzenesulfonate Openeye Name: pentadecyl benzenesulfonate CAS Name: benzenesulfonic acid pentadecyl ester IUPAC Name: pentadecyl benzenesulfonate Traditional Name: benzenesulfonic acid pentadecyl ester Formula: C21H36O3S MolecularWeight: 368.57374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24-25(22,23)21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3