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

Systemtic Name: [2-(2-dodecylphenyl)phenyl]iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [2-(2-dodecylphenyl)phenyl]iodonium; trifluoromethanesulfonate CAS Name: [2-(2-dodecylphenyl)phenyl]iodonium; trifluoromethanesulfonate IUPAC Name: [2-(2-dodecylphenyl)phenyl]iodanium; trifluoromethanesulfonate Traditional Name: [2-(2-laurylphenyl)phenyl]iodonium triflate Formula: C25H34F3IO3S MolecularWeight: 598.50034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C2=CC=CC=C2[IH+].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C2=CC=CC=C2[IH+].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H34I.CHF3O3S/c1-2-3-4-5-6-7-8-9-10-11-16-21-17-12-13-18-22(21)23-19-14-15-20-24(23)25;2-1(3,4)8(5,6)7/h12-15,17-20,25H,2-11,16H2,1H3;(H,5,6,7)/q+1;/p-1