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

Systemtic Name: iodanium; 1,1'-biphenyl; (4-methylphenyl) tris(fluoranyl)methanesulfonate Openeye Name: iodonium; biphenyl; p-tolyl trifluoromethanesulfonate CAS Name: iodonium; 1,1'-biphenyl; trifluoromethanesulfonic acid (4-methylphenyl) ester IUPAC Name: iodanium; 1,1'-biphenyl; (4-methylphenyl) trifluoromethanesulfonate Traditional Name: iodonium; biphenyl; trifluoromethanesulfonic acid p-tolyl ester Formula: C20H19F3IO3S+ MolecularWeight: 523.32774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F.C1=CC=C(C=C1)C2=CC=CC=C2.[IH2+]

Isomeric SMILES

CC1=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.C8H7F3O3S.H2I/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)14-15(12,13)8(9,10)11;/h1-10H;2-5H,1H3;1H2/q;;+1