sodium 3-dodecylbenzenesulfonate

Systemtic Name: sodium 3-dodecylbenzenesulfonate Openeye Name: sodium 3-dodecylbenzenesulfonate CAS Name: sodium 3-dodecylbenzenesulfonate IUPAC Name: sodium 3-dodecylbenzenesulfonate Traditional Name: sodium 3-laurylbesylate Formula: C18H29NaO3S MolecularWeight: 348.47583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;/h12,14-16H,2-11,13H2,1H3,(H,19,20,21);/q;+1/p-1