2-hexadecylbenzenesulfonate; 1-hexadecylpyridin-1-ium

Systemtic Name: 2-hexadecylbenzenesulfonate; 1-hexadecylpyridin-1-ium Openeye Name: 2-hexadecylbenzenesulfonate; 1-hexadecylpyridin-1-ium CAS Name: 2-hexadecylbenzenesulfonate; 1-hexadecylpyridin-1-ium IUPAC Name: 2-hexadecylbenzenesulfonate; 1-hexadecylpyridin-1-ium Traditional Name: 2-cetylbesylate; 1-cetylpyridin-1-ium Formula: C43H75NO3S MolecularWeight: 686.1255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1

InChI

InChI=1S/C22H38O3S.C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22(21)26(23,24)25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h16-17,19-20H,2-15,18H2,1H3,(H,23,24,25);15,17-18,20-21H,2-14,16,19H2,1H3/q;+1/p-1