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

Systemtic Name: (2-carboxyphenyl)-(3,3-dimethylbut-1-ynyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (2-carboxyphenyl)-(3,3-dimethylbut-1-ynyl)iodonium; trifluoromethanesulfonate CAS Name: (2-carboxyphenyl)-(3,3-dimethylbut-1-ynyl)iodonium; trifluoromethanesulfonate IUPAC Name: (2-carboxyphenyl)-(3,3-dimethylbut-1-ynyl)iodanium; trifluoromethanesulfonate Traditional Name: (2-carboxyphenyl)-(3,3-dimethylbut-1-ynyl)iodonium triflate Formula: C14H14F3IO5S MolecularWeight: 478.22264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#C[I+]C1=CC=CC=C1C(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C#C[I+]C1=CC=CC=C1C(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H13IO2.CHF3O3S/c1-13(2,3)8-9-14-11-7-5-4-6-10(11)12(15)16;2-1(3,4)8(5,6)7/h4-7H,1-3H3;(H,5,6,7)