cyano(phenyl)iodanium; 2-methylbenzenesulfonate

Systemtic Name: cyano(phenyl)iodanium; 2-methylbenzenesulfonate Openeye Name: cyano(phenyl)iodonium; 2-methylbenzenesulfonate CAS Name: cyano(phenyl)iodonium; 2-methylbenzenesulfonate IUPAC Name: cyano(phenyl)iodanium; 2-methylbenzenesulfonate Traditional Name: cyano(phenyl)iodonium; 2-methylbesylate Formula: C14H12INO3S MolecularWeight: 401.21945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C#N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C#N

InChI

InChI=1S/C7H5IN.C7H8O3S/c9-6-8-7-4-2-1-3-5-7;1-6-4-2-3-5-7(6)11(8,9)10/h1-5H;2-5H,1H3,(H,8,9,10)/q+1;/p-1