sodium 4-methyl-3-tridecyl-benzenesulfonate

Systemtic Name: sodium 4-methyl-3-tridecyl-benzenesulfonate Openeye Name: sodium 4-methyl-3-tridecyl-benzenesulfonate CAS Name: sodium 4-methyl-3-tridecylbenzenesulfonate IUPAC Name: sodium 4-methyl-3-tridecylbenzenesulfonate Traditional Name: sodium 4-methyl-3-tridecyl-besylate Formula: C20H33NaO3S MolecularWeight: 376.52899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-17-20(24(21,22)23)16-15-18(19)2;/h15-17H,3-14H2,1-2H3,(H,21,22,23);/q;+1/p-1