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

Systemtic Name: [4-tert-butyl-2-(phenylcarbonyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (2-benzoyl-4-tert-butyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodonium; trifluoromethanesulfonate CAS Name: (2-benzoyl-4-tert-butyl-1-cyclohexa-1,4-dienyl)-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (2-benzoyl-4-tert-butylcyclohexa-1,4-dien-1-yl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: (2-benzoyl-4-tert-butyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodonium triflate Formula: C24H24F3IO4S MolecularWeight: 592.40964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24IO.CHF3O3S/c1-23(2,3)18-14-15-21(24-19-12-8-5-9-13-19)20(16-18)22(25)17-10-6-4-7-11-17;2-1(3,4)8(5,6)7/h4-14H,15-16H2,1-3H3;(H,5,6,7)/q+1;/p-1