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

Systemtic Name: [3-cyano-2,6-bis(iodanyl)phenyl] heptanoate Openeye Name: (3-cyano-2,6-diiodo-phenyl) heptanoate CAS Name: heptanoic acid (3-cyano-2,6-diiodophenyl) ester IUPAC Name: (3-cyano-2,6-diiodophenyl) heptanoate Traditional Name: enanthic acid (3-cyano-2,6-diiodo-phenyl) ester Formula: C14H15I2NO2 MolecularWeight: 483.08334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15I2NO2/c1-2-3-4-5-6-12(18)19-14-11(15)8-7-10(9-17)13(14)16/h7-8H,2-6H2,1H3