(3-oxidanylidene-3-thiophen-2-yl-prop-1-ynyl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-oxidanylidene-3-thiophen-2-yl-prop-1-ynyl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [3-oxo-3-(2-thienyl)prop-1-ynyl]-phenyl-iodonium; trifluoromethanesulfonate CAS Name: (3-oxo-3-thiophen-2-ylprop-1-ynyl)-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (3-oxo-3-thiophen-2-ylprop-1-ynyl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: [3-keto-3-(2-thienyl)prop-1-ynyl]-phenyl-iodonium triflate Formula: C14H8F3IO4S2 MolecularWeight: 488.2406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[I+]C#CC(=O)C2=CC=CS2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[I+]C#CC(=O)C2=CC=CS2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H8IOS.CHF3O3S/c15-12(13-7-4-10-16-13)8-9-14-11-5-2-1-3-6-11;2-1(3,4)8(5,6)7/h1-7,10H;(H,5,6,7)/q+1;/p-1