(3,4-dimethylphenyl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3,4-dimethylphenyl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (3,4-dimethylphenyl)-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: (3,4-dimethylphenyl)-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: (3,4-dimethylphenyl)-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: (3,4-dimethylphenyl)-diphenyl-sulfonium triflate Formula: C21H19F3O3S2 MolecularWeight: 440.49897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19S.CHF3O3S/c1-16-13-14-20(15-17(16)2)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;2-1(3,4)8(5,6)7/h3-15H,1-2H3;(H,5,6,7)/q+1;/p-1