oct-1-ynyl-(4-phenyliodoniophenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: oct-1-ynyl-(4-phenyliodoniophenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: oct-1-ynyl-(4-phenyliodoniophenyl)iodonium; trifluoromethanesulfonate CAS Name: oct-1-ynyl-(4-phenyliodoniophenyl)iodonium; trifluoromethanesulfonate IUPAC Name: oct-1-ynyl-(4-phenyliodoniophenyl)iodanium; trifluoromethanesulfonate Traditional Name: oct-1-ynyl-(4-phenyliodoniophenyl)iodonium ditriflate Formula: C22H22F6I2O6S2 MolecularWeight: 814.335839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22I2.2CHF3O3S/c1-2-3-4-5-6-10-17-21-18-13-15-20(16-14-18)22-19-11-8-7-9-12-19;2*2-1(3,4)8(5,6)7/h7-9,11-16H,2-6H2,1H3;2*(H,5,6,7)/q+2;;/p-2