sodium 2-tetradecan-3-ylbenzenesulfonate

Systemtic Name: sodium 2-tetradecan-3-ylbenzenesulfonate Openeye Name: sodium 2-(1-ethyldodecyl)benzenesulfonate CAS Name: sodium 2-tetradecan-3-ylbenzenesulfonate IUPAC Name: sodium 2-tetradecan-3-ylbenzenesulfonate Traditional Name: sodium 2-(1-ethyldodecyl)besylate Formula: C20H33NaO3S MolecularWeight: 376.52899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCC(CC)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H34O3S.Na/c1-3-5-6-7-8-9-10-11-12-15-18(4-2)19-16-13-14-17-20(19)24(21,22)23;/h13-14,16-18H,3-12,15H2,1-2H3,(H,21,22,23);/q;+1/p-1