bis[4-(trifluoromethyl)phenyl]iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis[4-(trifluoromethyl)phenyl]iodanium; tris(fluoranyl)methanesulfonate Openeye Name: bis[4-(trifluoromethyl)phenyl]iodonium; trifluoromethanesulfonate CAS Name: bis[4-(trifluoromethyl)phenyl]iodonium; trifluoromethanesulfonate IUPAC Name: bis[4-(trifluoromethyl)phenyl]iodanium; trifluoromethanesulfonate Traditional Name: bis[4-(trifluoromethyl)phenyl]iodonium triflate Formula: C15H8F9IO3S MolecularWeight: 566.177319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)[I+]C2=CC=C(C=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)[I+]C2=CC=C(C=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H8F6I.CHF3O3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;2-1(3,4)8(5,6)7/h1-8H;(H,5,6,7)/q+1;/p-1