[3-cyano-2,6-bis(iodanyl)phenyl] butanoate

Systemtic Name: [3-cyano-2,6-bis(iodanyl)phenyl] butanoate Openeye Name: (3-cyano-2,6-diiodo-phenyl) butanoate CAS Name: butanoic acid (3-cyano-2,6-diiodophenyl) ester IUPAC Name: (3-cyano-2,6-diiodophenyl) butanoate Traditional Name: butyric acid (3-cyano-2,6-diiodo-phenyl) ester Formula: C11H9I2NO2 MolecularWeight: 441.0036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=CC(=C1I)C#N)I

Isomeric SMILES

CCCC(=O)OC1=C(C=CC(=C1I)C#N)I

InChI

InChI=1S/C11H9I2NO2/c1-2-3-9(15)16-11-8(12)5-4-7(6-14)10(11)13/h4-5H,2-3H2,1H3