[2-(dimethylcarbamoyl)-3-ethyl-cyclohexa-1,4-dien-1-yl]-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(dimethylcarbamoyl)-3-ethyl-cyclohexa-1,4-dien-1-yl]-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [2-(dimethylcarbamoyl)-3-ethyl-cyclohexa-1,4-dien-1-yl]-phenyl-iodonium; trifluoromethanesulfonate CAS Name: [2-[dimethylamino(oxo)methyl]-3-ethyl-1-cyclohexa-1,4-dienyl]-phenyliodonium; trifluoromethanesulfonate IUPAC Name: [2-(dimethylcarbamoyl)-3-ethylcyclohexa-1,4-dien-1-yl]-phenyliodanium; trifluoromethanesulfonate Traditional Name: [2-(dimethylcarbamoyl)-3-ethyl-cyclohexa-1,4-dien-1-yl]-phenyl-iodonium triflate Formula: C18H21F3INO4S MolecularWeight: 531.32832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=CCC(=C1C(=O)N(C)C)[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC1C=CCC(=C1C(=O)N(C)C)[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H21INO.CHF3O3S/c1-4-13-9-8-12-15(16(13)17(20)19(2)3)18-14-10-6-5-7-11-14;2-1(3,4)8(5,6)7/h5-11,13H,4,12H2,1-3H3;(H,5,6,7)/q+1;/p-1