sodium 3-tridecylbenzenesulfonate

Systemtic Name: sodium 3-tridecylbenzenesulfonate Openeye Name: sodium 3-tridecylbenzenesulfonate CAS Name: sodium 3-tridecylbenzenesulfonate IUPAC Name: sodium 3-tridecylbenzenesulfonate Traditional Name: sodium 3-tridecylbesylate Formula: C19H31NaO3S MolecularWeight: 362.50241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(17-18)23(20,21)22;/h13,15-17H,2-12,14H2,1H3,(H,20,21,22);/q;+1/p-1