3,3-dimethylbut-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: 3,3-dimethylbut-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: 3,3-dimethylbut-1-ynyl(phenyl)iodonium; 4-methylbenzenesulfonate CAS Name: 3,3-dimethylbut-1-ynyl(phenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: 3,3-dimethylbut-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: 3,3-dimethylbut-1-ynyl(phenyl)iodonium tosylate Formula: C19H21IO3S MolecularWeight: 456.33771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14I.C7H8O3S/c1-12(2,3)9-10-13-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1