diphenyl-(4-phenylsulfanylphenyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: diphenyl-(4-phenylsulfanylphenyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: diphenyl-(4-phenylsulfanylphenyl)sulfonium; 4-methylbenzenesulfonate CAS Name: diphenyl-[4-(phenylthio)phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: diphenyl-(4-phenylsulfanylphenyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: diphenyl-[4-(phenylthio)phenyl]sulfonium tosylate Formula: C31H26O3S3 MolecularWeight: 542.73134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)SC2=CC=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)SC2=CC=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H19S2.C7H8O3S/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-6-2-4-7(5-3-6)11(8,9)10/h1-19H;2-5H,1H3,(H,8,9,10)/q+1;/p-1