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

Systemtic Name: [2,6-bis(iodanyl)phenyl] 4-cyanooctanoate Openeye Name: (2,6-diiodophenyl) 4-cyanooctanoate CAS Name: 4-cyanooctanoic acid (2,6-diiodophenyl) ester IUPAC Name: (2,6-diiodophenyl) 4-cyanooctanoate Traditional Name: 4-cyanocaprylic acid (2,6-diiodophenyl) ester Formula: C15H17I2NO2 MolecularWeight: 497.10992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)OC1=C(C=CC=C1I)I)C#N

Isomeric SMILES

CCCCC(CCC(=O)OC1=C(C=CC=C1I)I)C#N

InChI

InChI=1S/C15H17I2NO2/c1-2-3-5-11(10-18)8-9-14(19)20-15-12(16)6-4-7-13(15)17/h4,6-7,11H,2-3,5,8-9H2,1H3