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

Systemtic Name: iodanium; 1,1'-biphenyl; (4-tert-butylphenyl) tris(fluoranyl)methanesulfonate Openeye Name: iodonium; biphenyl; (4-tert-butylphenyl) trifluoromethanesulfonate CAS Name: iodonium; 1,1'-biphenyl; trifluoromethanesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: iodanium; 1,1'-biphenyl; (4-tert-butylphenyl) trifluoromethanesulfonate Traditional Name: iodonium; biphenyl; trifluoromethanesulfonic acid (4-tert-butylphenyl) ester Formula: C23H25F3IO3S+ MolecularWeight: 565.40748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=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.C11H13F3O3S.H2I/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-10(2,3)8-4-6-9(7-5-8)17-18(15,16)11(12,13)14;/h1-10H;4-7H,1-3H3;1H2/q;;+1