[2-(2-butoxyphenyl)phenyl]iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(2-butoxyphenyl)phenyl]iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [2-(2-butoxyphenyl)phenyl]iodonium; trifluoromethanesulfonate CAS Name: [2-(2-butoxyphenyl)phenyl]iodonium; trifluoromethanesulfonate IUPAC Name: [2-(2-butoxyphenyl)phenyl]iodanium; trifluoromethanesulfonate Traditional Name: [2-(2-butoxyphenyl)phenyl]iodonium triflate Formula: C17H18F3IO4S MolecularWeight: 502.2871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=CC=CC=C2[IH+].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=CC=CC=C2[IH+].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H18IO.CHF3O3S/c1-2-3-12-18-16-11-7-5-9-14(16)13-8-4-6-10-15(13)17;2-1(3,4)8(5,6)7/h4-11,17H,2-3,12H2,1H3;(H,5,6,7)/q+1;/p-1