sodium 4-hexadecylbenzenesulfonate

Systemtic Name: sodium 4-hexadecylbenzenesulfonate Openeye Name: sodium 4-hexadecylbenzenesulfonate CAS Name: sodium 4-hexadecylbenzenesulfonate IUPAC Name: sodium 4-hexadecylbenzenesulfonate Traditional Name: sodium 4-cetylbesylate Formula: C22H37NaO3S MolecularWeight: 404.58215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H38O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(20-18-21)26(23,24)25;/h17-20H,2-16H2,1H3,(H,23,24,25);/q;+1/p-1