4-methylbenzenesulfonate; [2-(4-methylphenyl)-2-oxidanylidene-ethyl]-diphenyl-sulfanium

Systemtic Name: 4-methylbenzenesulfonate; [2-(4-methylphenyl)-2-oxidanylidene-ethyl]-diphenyl-sulfanium Openeye Name: 4-methylbenzenesulfonate; [2-oxo-2-(p-tolyl)ethyl]-diphenyl-sulfonium CAS Name: 4-methylbenzenesulfonate; [2-(4-methylphenyl)-2-oxoethyl]-diphenylsulfonium IUPAC Name: 4-methylbenzenesulfonate; [2-(4-methylphenyl)-2-oxoethyl]-diphenylsulfanium Traditional Name: [2-keto-2-(p-tolyl)ethyl]-diphenyl-sulfonium tosylate Formula: C28H26O4S2 MolecularWeight: 490.63364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19OS.C7H8O3S/c1-17-12-14-18(15-13-17)21(22)16-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-6-2-4-7(5-3-6)11(8,9)10/h2-15H,16H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1