bis[4-(trifluoromethyl)phenyl]iodanium; 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: bis[4-(trifluoromethyl)phenyl]iodanium; 2-(trifluoromethyl)benzenesulfonate Openeye Name: bis[4-(trifluoromethyl)phenyl]iodonium; 2-(trifluoromethyl)benzenesulfonate CAS Name: bis[4-(trifluoromethyl)phenyl]iodonium; 2-(trifluoromethyl)benzenesulfonate IUPAC Name: bis[4-(trifluoromethyl)phenyl]iodanium; 2-(trifluoromethyl)benzenesulfonate Traditional Name: bis[4-(trifluoromethyl)phenyl]iodonium; 2-(trifluoromethyl)besylate Formula: C21H12F9IO3S MolecularWeight: 642.273279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8F6I.C7H5F3O3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-8H;1-4H,(H,11,12,13)/q+1;/p-1