(3-methyl-2-thiophen-2-ylcarbonyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-methyl-2-thiophen-2-ylcarbonyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [3-methyl-2-(thiophene-2-carbonyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodonium; trifluoromethanesulfonate CAS Name: [3-methyl-2-[oxo(thiophen-2-yl)methyl]-1-cyclohexa-1,4-dienyl]-phenyliodonium; trifluoromethanesulfonate IUPAC Name: [3-methyl-2-(thiophene-2-carbonyl)cyclohexa-1,4-dien-1-yl]-phenyliodanium; trifluoromethanesulfonate Traditional Name: [3-methyl-2-(2-thenoyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodonium triflate Formula: C19H16F3IO4S2 MolecularWeight: 556.35762

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC(=C1C(=O)C2=CC=CS2)[I+]C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1C=CCC(=C1C(=O)C2=CC=CS2)[I+]C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H16IOS.CHF3O3S/c1-13-7-5-10-15(19-14-8-3-2-4-9-14)17(13)18(20)16-11-6-12-21-16;2-1(3,4)8(5,6)7/h2-9,11-13H,10H2,1H3;(H,5,6,7)/q+1;/p-1