2-dodecylbenzenesulfonate; 1-hexadecylpyridin-1-ium

Systemtic Name: 2-dodecylbenzenesulfonate; 1-hexadecylpyridin-1-ium Openeye Name: 2-dodecylbenzenesulfonate; 1-hexadecylpyridin-1-ium CAS Name: 2-dodecylbenzenesulfonate; 1-hexadecylpyridin-1-ium IUPAC Name: 2-dodecylbenzenesulfonate; 1-hexadecylpyridin-1-ium Traditional Name: 1-cetylpyridin-1-ium; 2-laurylbesylate Formula: C39H67NO3S MolecularWeight: 630.01918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C21H38N.C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h15,17-18,20-21H,2-14,16,19H2,1H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)/q+1;/p-1