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

Systemtic Name: (2-cyano-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (2-cyano-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodonium; trifluoromethanesulfonate CAS Name: (2-cyano-4,5-dimethyl-1-cyclohexa-1,4-dienyl)-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (2-cyano-4,5-dimethylcyclohexa-1,4-dien-1-yl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: (2-cyano-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodonium triflate Formula: C16H15F3INO3S MolecularWeight: 485.25988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(C1)C#N)[I+]C2=CC=CC=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(CC(=C(C1)C#N)[I+]C2=CC=CC=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H15IN.CHF3O3S/c1-11-8-13(10-17)15(9-12(11)2)16-14-6-4-3-5-7-14;2-1(3,4)8(5,6)7/h3-7H,8-9H2,1-2H3;(H,5,6,7)/q+1;/p-1