(5-tert-butyl-2-thiophen-2-ylcarbonyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (5-tert-butyl-2-thiophen-2-ylcarbonyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [5-tert-butyl-2-(thiophene-2-carbonyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodonium; trifluoromethanesulfonate CAS Name: [5-tert-butyl-2-[oxo(thiophen-2-yl)methyl]-1-cyclohexa-1,4-dienyl]-phenyliodonium; trifluoromethanesulfonate IUPAC Name: [5-tert-butyl-2-(thiophene-2-carbonyl)cyclohexa-1,4-dien-1-yl]-phenyliodanium; trifluoromethanesulfonate Traditional Name: [5-tert-butyl-2-(2-thenoyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodonium triflate Formula: C22H22F3IO4S2 MolecularWeight: 598.43736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CCC(=C(C1)[I+]C2=CC=CC=C2)C(=O)C3=CC=CS3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CCC(=C(C1)[I+]C2=CC=CC=C2)C(=O)C3=CC=CS3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H22IOS.CHF3O3S/c1-21(2,3)15-11-12-17(20(23)19-10-7-13-24-19)18(14-15)22-16-8-5-4-6-9-16;2-1(3,4)8(5,6)7/h4-11,13H,12,14H2,1-3H3;(H,5,6,7)/q+1;/p-1