[3-(2-hydroxyethyl)-5-phenyl-pent-1-ynyl]-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(2-hydroxyethyl)-5-phenyl-pent-1-ynyl]-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [3-(2-hydroxyethyl)-5-phenyl-pent-1-ynyl]-phenyl-iodonium; trifluoromethanesulfonate CAS Name: [3-(2-hydroxyethyl)-5-phenylpent-1-ynyl]-phenyliodonium; trifluoromethanesulfonate IUPAC Name: [3-(2-hydroxyethyl)-5-phenylpent-1-ynyl]-phenyliodanium; trifluoromethanesulfonate Traditional Name: [3-(2-hydroxyethyl)-5-phenyl-pent-1-ynyl]-phenyl-iodonium triflate Formula: C20H20F3IO4S MolecularWeight: 540.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20IO.CHF3O3S/c21-16-14-18(12-11-17-7-3-1-4-8-17)13-15-20-19-9-5-2-6-10-19;2-1(3,4)8(5,6)7/h1-10,18,21H,11-12,14,16H2;(H,5,6,7)/q+1;/p-1