(4-iodophenyl) 4-cyanobenzenesulfonate

Systemtic Name: (4-iodophenyl) 4-cyanobenzenesulfonate Openeye Name: (4-iodophenyl) 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid (4-iodophenyl) ester Formula: C13H8INO3S MolecularWeight: 385.17699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)S(=O)(=O)OC2=CC=C(C=C2)I

Isomeric SMILES

C1=CC(=CC=C1C#N)S(=O)(=O)OC2=CC=C(C=C2)I

InChI

InChI=1S/C13H8INO3S/c14-11-3-5-12(6-4-11)18-19(16,17)13-7-1-10(9-15)2-8-13/h1-8H