phenyl-[4-(2-phenylethynyliodonio)phenyl]iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: phenyl-[4-(2-phenylethynyliodonio)phenyl]iodanium; tris(fluoranyl)methanesulfonate Openeye Name: phenyl-[4-(2-phenylethynyliodonio)phenyl]iodonium; trifluoromethanesulfonate CAS Name: phenyl-[4-(2-phenylethynyliodonio)phenyl]iodonium; trifluoromethanesulfonate IUPAC Name: phenyl-[4-(2-phenylethynyliodonio)phenyl]iodanium; trifluoromethanesulfonate Traditional Name: phenyl-[4-(2-phenylethynyliodonio)phenyl]iodonium ditriflate Formula: C22H14F6I2O6S2 MolecularWeight: 806.272319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14I2.2CHF3O3S/c1-3-7-17(8-4-1)15-16-21-18-11-13-20(14-12-18)22-19-9-5-2-6-10-19;2*2-1(3,4)8(5,6)7/h1-14H;2*(H,5,6,7)/q+2;;/p-2