[4-tert-butyl-2-(dimethylcarbamoyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [4-tert-butyl-2-(dimethylcarbamoyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-tert-butyl-2-(dimethylcarbamoyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodonium; trifluoromethanesulfonate CAS Name: [4-tert-butyl-2-[dimethylamino(oxo)methyl]-1-cyclohexa-1,4-dienyl]-phenyliodonium; trifluoromethanesulfonate IUPAC Name: [4-tert-butyl-2-(dimethylcarbamoyl)cyclohexa-1,4-dien-1-yl]-phenyliodanium; trifluoromethanesulfonate Traditional Name: [4-tert-butyl-2-(dimethylcarbamoyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodonium triflate Formula: C20H25F3INO4S MolecularWeight: 559.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25INO.CHF3O3S/c1-19(2,3)14-11-12-17(16(13-14)18(22)21(4)5)20-15-9-7-6-8-10-15;2-1(3,4)8(5,6)7/h6-11H,12-13H2,1-5H3;(H,5,6,7)/q+1;/p-1