hex-1-ynyl(phenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: hex-1-ynyl(phenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: hex-1-ynyl(phenyl)iodonium; trifluoromethanesulfonate CAS Name: hex-1-ynyl(phenyl)iodonium; trifluoromethanesulfonate IUPAC Name: hex-1-ynyl(phenyl)iodanium; trifluoromethanesulfonate Traditional Name: hex-1-ynyl(phenyl)iodonium triflate Formula: C13H14F3IO3S MolecularWeight: 434.21314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14I.CHF3O3S/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;2-1(3,4)8(5,6)7/h5-7,9-10H,2-4H2,1H3;(H,5,6,7)/q+1;/p-1