(2-carboxyphenyl)-dec-1-ynyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (2-carboxyphenyl)-dec-1-ynyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (2-carboxyphenyl)-dec-1-ynyl-iodonium; trifluoromethanesulfonate CAS Name: (2-carboxyphenyl)-dec-1-ynyliodonium; trifluoromethanesulfonate IUPAC Name: (2-carboxyphenyl)-dec-1-ynyliodanium; trifluoromethanesulfonate Traditional Name: (2-carboxyphenyl)-dec-1-ynyl-iodonium triflate Formula: C18H22F3IO5S MolecularWeight: 534.32896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21IO2.CHF3O3S/c1-2-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17(19)20;2-1(3,4)8(5,6)7/h9-10,12-13H,2-8H2,1H3;(H,5,6,7)