diphenyliodanium; 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: diphenyliodanium; 3-(trifluoromethyl)benzenesulfonate Openeye Name: diphenyliodonium; 3-(trifluoromethyl)benzenesulfonate CAS Name: diphenyliodonium; 3-(trifluoromethyl)benzenesulfonate IUPAC Name: diphenyliodanium; 3-(trifluoromethyl)benzenesulfonate Traditional Name: diphenyliodonium; 3-(trifluoromethyl)besylate Formula: C19H14F3IO3S MolecularWeight: 506.27734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10I.C7H5F3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h1-10H;1-4H,(H,11,12,13)/q+1;/p-1