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

Systemtic Name: (2,4-dimethylphenyl)-diphenyl-sulfanium; 2,4,5-tris(chloranyl)benzenesulfonate Openeye Name: (2,4-dimethylphenyl)-diphenyl-sulfonium; 2,4,5-trichlorobenzenesulfonate CAS Name: (2,4-dimethylphenyl)-diphenylsulfonium; 2,4,5-trichlorobenzenesulfonate IUPAC Name: (2,4-dimethylphenyl)-diphenylsulfanium; 2,4,5-trichlorobenzenesulfonate Traditional Name: (2,4-dimethylphenyl)-diphenyl-sulfonium; 2,4,5-trichlorobesylate Formula: C26H21Cl3O3S2 MolecularWeight: 551.93214

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H19S.C6H3Cl3O3S/c1-16-13-14-20(17(2)15-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;7-3-1-5(9)6(2-4(3)8)13(10,11)12/h3-15H,1-2H3;1-2H,(H,10,11,12)/q+1;/p-1