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

Systemtic Name: (3-oxidanylidene-3-phenyl-prop-1-ynyl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (3-oxo-3-phenyl-prop-1-ynyl)-phenyl-iodonium; trifluoromethanesulfonate CAS Name: (3-oxo-3-phenylprop-1-ynyl)-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (3-oxo-3-phenylprop-1-ynyl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: (3-keto-3-phenyl-prop-1-ynyl)-phenyl-iodonium triflate Formula: C16H10F3IO4S MolecularWeight: 482.21288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10IO.CHF3O3S/c17-15(13-7-3-1-4-8-13)11-12-16-14-9-5-2-6-10-14;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1