[4-(4-iodaniumylphenyl)phenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(4-iodaniumylphenyl)phenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-iodoniophenyl)phenyl]-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: [4-(4-iodoniophenyl)phenyl]-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: [4-(4-iodoniophenyl)phenyl]-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: [4-(4-iodoniophenyl)phenyl]-diphenyl-sulfonium tritriflate Formula: C27H19F9IO9S4- MolecularWeight: 913.584459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19IS.3CHF3O3S/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23;3*2-1(3,4)8(5,6)7/h1-18,25H;3*(H,5,6,7)/q+2;;;/p-3