(4-nitrophenyl)-phenyl-iodanium; 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-nitrophenyl)-phenyl-iodanium; 2-(trifluoromethyl)benzenesulfonate Openeye Name: (4-nitrophenyl)-phenyl-iodonium; 2-(trifluoromethyl)benzenesulfonate CAS Name: (4-nitrophenyl)-phenyliodonium; 2-(trifluoromethyl)benzenesulfonate IUPAC Name: (4-nitrophenyl)-phenyliodanium; 2-(trifluoromethyl)benzenesulfonate Traditional Name: (4-nitrophenyl)-phenyl-iodonium; 2-(trifluoromethyl)besylate Formula: C19H13F3INO5S MolecularWeight: 551.2749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9INO2.C7H5F3O3S/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-9H;1-4H,(H,11,12,13)/q+1;/p-1