(4-methylphenyl)-diphenyl-sulfanium; 2,4,5-tris(chloranyl)benzenesulfonate

Systemtic Name: (4-methylphenyl)-diphenyl-sulfanium; 2,4,5-tris(chloranyl)benzenesulfonate Openeye Name: diphenyl(p-tolyl)sulfonium; 2,4,5-trichlorobenzenesulfonate CAS Name: (4-methylphenyl)-diphenylsulfonium; 2,4,5-trichlorobenzenesulfonate IUPAC Name: (4-methylphenyl)-diphenylsulfanium; 2,4,5-trichlorobenzenesulfonate Traditional Name: diphenyl(p-tolyl)sulfonium; 2,4,5-trichlorobesylate Formula: C25H19Cl3O3S2 MolecularWeight: 537.90556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C19H17S.C6H3Cl3O3S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;7-3-1-5(9)6(2-4(3)8)13(10,11)12/h2-15H,1H3;1-2H,(H,10,11,12)/q+1;/p-1