3,3-dimethylbut-1-ynyl(phenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3,3-dimethylbut-1-ynyl(phenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: 3,3-dimethylbut-1-ynyl(phenyl)iodonium; trifluoromethanesulfonate CAS Name: 3,3-dimethylbut-1-ynyl(phenyl)iodonium; trifluoromethanesulfonate IUPAC Name: 3,3-dimethylbut-1-ynyl(phenyl)iodanium; trifluoromethanesulfonate Traditional Name: 3,3-dimethylbut-1-ynyl(phenyl)iodonium triflate Formula: C13H14F3IO3S MolecularWeight: 434.21314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14I.CHF3O3S/c1-12(2,3)9-10-13-11-7-5-4-6-8-11;2-1(3,4)8(5,6)7/h4-8H,1-3H3;(H,5,6,7)/q+1;/p-1