sodium 4-hexadecan-8-ylbenzenesulfonate

Systemtic Name: sodium 4-hexadecan-8-ylbenzenesulfonate Openeye Name: sodium 4-(1-heptylnonyl)benzenesulfonate CAS Name: sodium 4-hexadecan-8-ylbenzenesulfonate IUPAC Name: sodium 4-hexadecan-8-ylbenzenesulfonate Traditional Name: sodium 4-(1-heptylnonyl)besylate Formula: C22H37NaO3S MolecularWeight: 404.58215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O3S.Na/c1-3-5-7-9-11-13-15-20(14-12-10-8-6-4-2)21-16-18-22(19-17-21)26(23,24)25;/h16-20H,3-15H2,1-2H3,(H,23,24,25);/q;+1/p-1