(4-cyano-2-iodanyl-6-methoxy-phenyl) butanoate

Systemtic Name: (4-cyano-2-iodanyl-6-methoxy-phenyl) butanoate Openeye Name: (4-cyano-2-iodo-6-methoxy-phenyl) butanoate CAS Name: butanoic acid (4-cyano-2-iodo-6-methoxyphenyl) ester IUPAC Name: (4-cyano-2-iodo-6-methoxyphenyl) butanoate Traditional Name: butyric acid (4-cyano-2-iodo-6-methoxy-phenyl) ester Formula: C12H12INO3 MolecularWeight: 345.13305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1I)C#N)OC

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1I)C#N)OC

InChI

InChI=1S/C12H12INO3/c1-3-4-11(15)17-12-9(13)5-8(7-14)6-10(12)16-2/h5-6H,3-4H2,1-2H3