2-dodecylbenzenesulfonate; hexadecyl(trimethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-dodecylbenzenesulfonate; hexadecyl(trimethyl)azanium; 4-methylbenzenesulfonate Openeye Name: 2-dodecylbenzenesulfonate; hexadecyl(trimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonate; hexadecyl(trimethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: 2-dodecylbenzenesulfonate; hexadecyl(trimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: cetyl(trimethyl)ammonium; 2-laurylbesylate; tosylate Formula: C44H78NO6S2- MolecularWeight: 781.22322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H42N.C18H30O3S.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H2,1-4H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2-5H,1H3,(H,8,9,10)/q+1;;/p-2