4-dodecylbenzenesulfonate; (4-methylphenyl)-diphenyl-sulfanium

Systemtic Name: 4-dodecylbenzenesulfonate; (4-methylphenyl)-diphenyl-sulfanium Openeye Name: diphenyl(p-tolyl)sulfonium; 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonate; (4-methylphenyl)-diphenylsulfonium IUPAC Name: 4-dodecylbenzenesulfonate; (4-methylphenyl)-diphenylsulfanium Traditional Name: diphenyl(p-tolyl)sulfonium; 4-laurylbesylate Formula: C37H46O3S2 MolecularWeight: 602.88934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H17S.C18H30O3S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h2-15H,1H3;13-16H,2-12H2,1H3,(H,19,20,21)/q+1;/p-1