2-(4-methylphenyl)sulfonylethynyl-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(4-methylphenyl)sulfonylethynyl-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: phenyl-[2-(p-tolylsulfonyl)ethynyl]iodonium; trifluoromethanesulfonate CAS Name: 2-(4-methylphenyl)sulfonylethynyl-phenyliodonium; trifluoromethanesulfonate IUPAC Name: 2-(4-methylphenyl)sulfonylethynyl-phenyliodanium; trifluoromethanesulfonate Traditional Name: phenyl(2-tosylethynyl)iodonium triflate Formula: C16H12F3IO5S2 MolecularWeight: 532.29316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C#C[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C#C[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H12IO2S.CHF3O3S/c1-13-7-9-15(10-8-13)19(17,18)12-11-16-14-5-3-2-4-6-14;2-1(3,4)8(5,6)7/h2-10H,1H3;(H,5,6,7)/q+1;/p-1