ethanesulfonate; (4-methylphenyl)-diphenyl-sulfanium

Systemtic Name: ethanesulfonate; (4-methylphenyl)-diphenyl-sulfanium Openeye Name: diphenyl(p-tolyl)sulfonium; ethanesulfonate CAS Name: ethanesulfonate; (4-methylphenyl)-diphenylsulfonium IUPAC Name: ethanesulfonate; (4-methylphenyl)-diphenylsulfanium Traditional Name: diphenyl(p-tolyl)sulfonium esylate Formula: C21H22O3S2 MolecularWeight: 386.52758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17S.C2H6O3S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-6(3,4)5/h2-15H,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1