4-dodecylbenzenesulfonate; 2-hydroxyethyl-dimethyl-octyl-azanium

Systemtic Name: 4-dodecylbenzenesulfonate; 2-hydroxyethyl-dimethyl-octyl-azanium Openeye Name: 4-dodecylbenzenesulfonate; 2-hydroxyethyl-dimethyl-octyl-ammonium CAS Name: 4-dodecylbenzenesulfonate; 2-hydroxyethyl-dimethyl-octylammonium IUPAC Name: 4-dodecylbenzenesulfonate; 2-hydroxyethyl-dimethyl-octylazanium Traditional Name: 2-hydroxyethyl-dimethyl-octyl-ammonium; 4-laurylbesylate Formula: C30H57NO4S MolecularWeight: 527.84288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCC[N+](C)(C)CCO

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCC[N+](C)(C)CCO

InChI

InChI=1S/C18H30O3S.C12H28NO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-4-5-6-7-8-9-10-13(2,3)11-12-14/h13-16H,2-12H2,1H3,(H,19,20,21);14H,4-12H2,1-3H3/q;+1/p-1