iodanium; 1,1'-biphenyl; (4-methoxyphenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: iodanium; 1,1'-biphenyl; (4-methoxyphenyl) tris(fluoranyl)methanesulfonate Openeye Name: iodonium; biphenyl; (4-methoxyphenyl) trifluoromethanesulfonate CAS Name: iodonium; 1,1'-biphenyl; trifluoromethanesulfonic acid (4-methoxyphenyl) ester IUPAC Name: iodanium; 1,1'-biphenyl; (4-methoxyphenyl) trifluoromethanesulfonate Traditional Name: iodonium; biphenyl; trifluoromethanesulfonic acid (4-methoxyphenyl) ester Formula: C20H19F3IO4S+ MolecularWeight: 539.32714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F.C1=CC=C(C=C1)C2=CC=CC=C2.[IH2+]

Isomeric SMILES

COC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F.C1=CC=C(C=C1)C2=CC=CC=C2.[IH2+]

InChI

InChI=1S/C12H10.C8H7F3O4S.H2I/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-14-6-2-4-7(5-3-6)15-16(12,13)8(9,10)11;/h1-10H;2-5H,1H3;1H2/q;;+1