2-dodecylbenzenesulfonate; tributyl-(phenylmethyl)azanium

Systemtic Name: 2-dodecylbenzenesulfonate; tributyl-(phenylmethyl)azanium Openeye Name: benzyl(tributyl)ammonium; 2-dodecylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonate; tributyl-(phenylmethyl)ammonium IUPAC Name: benzyl(tributyl)azanium; 2-dodecylbenzenesulfonate Traditional Name: benzyl(tributyl)ammonium; 2-laurylbesylate Formula: C37H63NO3S MolecularWeight: 601.96602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1

InChI

InChI=1S/C19H34N.C18H30O3S/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h10-14H,4-9,15-18H2,1-3H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)/q+1;/p-1