sodium 2,3-dioctylbenzenesulfonate

Systemtic Name: sodium 2,3-dioctylbenzenesulfonate Openeye Name: sodium 2,3-dioctylbenzenesulfonate CAS Name: sodium 2,3-dioctylbenzenesulfonate IUPAC Name: sodium 2,3-dioctylbenzenesulfonate Traditional Name: sodium 2,3-dioctylbesylate Formula: C22H37NaO3S MolecularWeight: 404.58215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCC.[Na+]

InChI

InChI=1S/C22H38O3S.Na/c1-3-5-7-9-11-13-16-20-17-15-19-22(26(23,24)25)21(20)18-14-12-10-8-6-4-2;/h15,17,19H,3-14,16,18H2,1-2H3,(H,23,24,25);/q;+1/p-1