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

Systemtic Name: (2-cyano-3-methyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (2-cyano-3-methyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodonium; trifluoromethanesulfonate CAS Name: (2-cyano-3-methyl-1-cyclohexa-1,4-dienyl)-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (2-cyano-3-methylcyclohexa-1,4-dien-1-yl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: (2-cyano-3-methyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodonium triflate Formula: C15H13F3INO3S MolecularWeight: 471.2333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13IN.CHF3O3S/c1-11-6-5-9-14(13(11)10-16)15-12-7-3-2-4-8-12;2-1(3,4)8(5,6)7/h2-8,11H,9H2,1H3;(H,5,6,7)/q+1;/p-1