(6-chloranylpyridin-3-yl)-(4-methoxyphenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (6-chloranylpyridin-3-yl)-(4-methoxyphenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (6-chloro-3-pyridyl)-(4-methoxyphenyl)iodonium; trifluoromethanesulfonate CAS Name: (6-chloro-3-pyridinyl)-(4-methoxyphenyl)iodonium; trifluoromethanesulfonate IUPAC Name: (6-chloropyridin-3-yl)-(4-methoxyphenyl)iodanium; trifluoromethanesulfonate Traditional Name: (6-chloro-3-pyridyl)-(4-methoxyphenyl)iodonium triflate Formula: C13H10ClF3INO4S MolecularWeight: 495.64048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[I+]C2=CN=C(C=C2)Cl.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[I+]C2=CN=C(C=C2)Cl.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H10ClINO.CHF3O3S/c1-16-11-5-2-9(3-6-11)14-10-4-7-12(13)15-8-10;2-1(3,4)8(5,6)7/h2-8H,1H3;(H,5,6,7)/q+1;/p-1