[4-cyano-2,6-bis(iodanyl)phenyl] octanoate

Systemtic Name: [4-cyano-2,6-bis(iodanyl)phenyl] octanoate Openeye Name: (4-cyano-2,6-diiodo-phenyl) octanoate CAS Name: octanoic acid (4-cyano-2,6-diiodophenyl) ester IUPAC Name: (4-cyano-2,6-diiodophenyl) octanoate Traditional Name: caprylic acid (4-cyano-2,6-diiodo-phenyl) ester Formula: C15H17I2NO2 MolecularWeight: 497.10992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I

InChI

InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3