4-methylbenzenesulfonate; (3-methylphenyl)-diphenyl-sulfanium

Systemtic Name: 4-methylbenzenesulfonate; (3-methylphenyl)-diphenyl-sulfanium Openeye Name: 4-methylbenzenesulfonate; m-tolyl(diphenyl)sulfonium CAS Name: 4-methylbenzenesulfonate; (3-methylphenyl)-diphenylsulfonium IUPAC Name: 4-methylbenzenesulfonate; (3-methylphenyl)-diphenylsulfanium Traditional Name: m-tolyl(diphenyl)sulfonium tosylate Formula: C26H24O3S2 MolecularWeight: 448.59696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17S.C7H8O3S/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-6-2-4-7(5-3-6)11(8,9)10/h2-15H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1