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

Systemtic Name: (5-tert-butyl-2-cyano-cyclohexa-1,4-dien-1-yl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (5-tert-butyl-2-cyano-cyclohexa-1,4-dien-1-yl)-phenyl-iodonium; trifluoromethanesulfonate CAS Name: (5-tert-butyl-2-cyano-1-cyclohexa-1,4-dienyl)-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (5-tert-butyl-2-cyanocyclohexa-1,4-dien-1-yl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: (5-tert-butyl-2-cyano-cyclohexa-1,4-dien-1-yl)-phenyl-iodonium triflate Formula: C18H19F3INO3S MolecularWeight: 513.31304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19IN.CHF3O3S/c1-17(2,3)14-10-9-13(12-19)16(11-14)18-15-7-5-4-6-8-15;2-1(3,4)8(5,6)7/h4-8,10H,9,11H2,1-3H3;(H,5,6,7)/q+1;/p-1