phenyl(9-phenyliodonionona-1,8-diynyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: phenyl(9-phenyliodonionona-1,8-diynyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: phenyl(9-phenyliodonionona-1,8-diynyl)iodonium; trifluoromethanesulfonate CAS Name: phenyl(9-phenyliodonionona-1,8-diynyl)iodonium; trifluoromethanesulfonate IUPAC Name: phenyl(9-phenyliodonionona-1,8-diynyl)iodanium; trifluoromethanesulfonate Traditional Name: phenyl(9-phenyliodonionona-1,8-diynyl)iodonium ditriflate Formula: C23H20F6I2O6S2 MolecularWeight: 824.330659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[I+]C#CCCCCCC#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#CCCCCCC#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/C21H20I2.2CHF3O3S/c1(2-4-12-18-22-20-14-8-6-9-15-20)3-5-13-19-23-21-16-10-7-11-17-21;2*2-1(3,4)8(5,6)7/h6-11,14-17H,1-5H2;2*(H,5,6,7)/q+2;;/p-2