phenyl(12-phenyliodoniododeca-1,11-diynyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: phenyl(12-phenyliodoniododeca-1,11-diynyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: phenyl(12-phenyliodoniododeca-1,11-diynyl)iodonium; trifluoromethanesulfonate CAS Name: phenyl(12-phenyliodoniododeca-1,11-diynyl)iodonium; trifluoromethanesulfonate IUPAC Name: phenyl(12-phenyliodoniododeca-1,11-diynyl)iodanium; trifluoromethanesulfonate Traditional Name: phenyl(12-phenyliodoniododeca-1,11-diynyl)iodonium ditriflate Formula: C26H26F6I2O6S2 MolecularWeight: 866.410399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26I2.2CHF3O3S/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24;2*2-1(3,4)8(5,6)7/h9-14,17-20H,1-8H2;2*(H,5,6,7)/q+2;;/p-2