dimethyl-octyl-(2-oxidanylpropyl)azanium; 2-dodecylbenzenesulfonate

Systemtic Name: dimethyl-octyl-(2-oxidanylpropyl)azanium; 2-dodecylbenzenesulfonate Openeye Name: 2-dodecylbenzenesulfonate; 2-hydroxypropyl-dimethyl-octyl-ammonium CAS Name: 2-dodecylbenzenesulfonate; 2-hydroxypropyl-dimethyl-octylammonium IUPAC Name: 2-dodecylbenzenesulfonate; 2-hydroxypropyl-dimethyl-octylazanium Traditional Name: 2-hydroxypropyl-dimethyl-octyl-ammonium; 2-laurylbesylate Formula: C31H59NO4S MolecularWeight: 541.86946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCC[N+](C)(C)CC(C)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCC[N+](C)(C)CC(C)O

InChI

InChI=1S/C18H30O3S.C13H30NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-5-6-7-8-9-10-11-14(3,4)12-13(2)15/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);13,15H,5-12H2,1-4H3/q;+1/p-1