2-dodecylbenzenesulfonate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-dodecylbenzenesulfonate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-dodecylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-dodecylbenzenesulfonate Traditional Name: benzyl(trimethyl)ammonium; 2-laurylbesylate Formula: C28H45NO3S MolecularWeight: 475.7268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O3S.C10H16N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-11(2,3)9-10-7-5-4-6-8-10/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);4-8H,9H2,1-3H3/q;+1/p-1