(4-methylsulfanylphenyl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-methylsulfanylphenyl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-methylsulfanylphenyl)-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: [4-(methylthio)phenyl]-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: (4-methylsulfanylphenyl)-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: [4-(methylthio)phenyl]-diphenyl-sulfonium triflate Formula: C20H17F3O3S3 MolecularWeight: 458.53739

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H17S2.CHF3O3S/c1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2-1(3,4)8(5,6)7/h2-15H,1H3;(H,5,6,7)/q+1;/p-1