phenyl(8-phenyliodonioocta-1,7-diynyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: phenyl(8-phenyliodonioocta-1,7-diynyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: phenyl(8-phenyliodonioocta-1,7-diynyl)iodonium; trifluoromethanesulfonate CAS Name: phenyl(8-phenyliodonioocta-1,7-diynyl)iodonium; trifluoromethanesulfonate IUPAC Name: phenyl(8-phenyliodonioocta-1,7-diynyl)iodanium; trifluoromethanesulfonate Traditional Name: phenyl(8-phenyliodonioocta-1,7-diynyl)iodonium ditriflate Formula: C22H18F6I2O6S2 MolecularWeight: 810.304079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[I+]C#CCCCCC#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#CCCCCC#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/C20H18I2.2CHF3O3S/c1(3-11-17-21-19-13-7-5-8-14-19)2-4-12-18-22-20-15-9-6-10-16-20;2*2-1(3,4)8(5,6)7/h5-10,13-16H,1-4H2;2*(H,5,6,7)/q+2;;/p-2