hex-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14I.C7H8O3S/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,9-10H,2-4H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1