4-methylbenzenesulfonate; phenyl(2-phenylethynyl)iodanium

Systemtic Name: 4-methylbenzenesulfonate; phenyl(2-phenylethynyl)iodanium Openeye Name: 4-methylbenzenesulfonate; phenyl(2-phenylethynyl)iodonium CAS Name: 4-methylbenzenesulfonate; phenyl(2-phenylethynyl)iodonium IUPAC Name: 4-methylbenzenesulfonate; phenyl(2-phenylethynyl)iodanium Traditional Name: phenyl(2-phenylethynyl)iodonium tosylate Formula: C21H17IO3S MolecularWeight: 476.32735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10I.C7H8O3S/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H;2-5H,1H3,(H,8,9,10)/q+1;/p-1