sodium 2-nonyl-3-phenoxy-benzenesulfonate

Systemtic Name: sodium 2-nonyl-3-phenoxy-benzenesulfonate Openeye Name: sodium 2-nonyl-3-phenoxy-benzenesulfonate CAS Name: sodium 2-nonyl-3-phenoxybenzenesulfonate IUPAC Name: sodium 2-nonyl-3-phenoxybenzenesulfonate Traditional Name: sodium 2-nonyl-3-phenoxy-besylate Formula: C21H27NaO4S MolecularWeight: 398.49145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C21H28O4S.Na/c1-2-3-4-5-6-7-11-15-19-20(25-18-13-9-8-10-14-18)16-12-17-21(19)26(22,23)24;/h8-10,12-14,16-17H,2-7,11,15H2,1H3,(H,22,23,24);/q;+1/p-1