(3-oxidanyl-3,3-diphenyl-prop-1-ynyl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-oxidanyl-3,3-diphenyl-prop-1-ynyl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenyl-iodonium; trifluoromethanesulfonate CAS Name: (3-hydroxy-3,3-diphenylprop-1-ynyl)-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (3-hydroxy-3,3-diphenylprop-1-ynyl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: (3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenyl-iodonium triflate Formula: C22H16F3IO4S MolecularWeight: 560.32472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#C[I+]C2=CC=CC=C2)(C3=CC=CC=C3)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C#C[I+]C2=CC=CC=C2)(C3=CC=CC=C3)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H16IO.CHF3O3S/c23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)16-17-22-20-14-8-3-9-15-20;2-1(3,4)8(5,6)7/h1-15,23H;(H,5,6,7)/q+1;/p-1