(2-bromanyl-4-cyano-6-iodanyl-phenyl) octanoate

Systemtic Name: (2-bromanyl-4-cyano-6-iodanyl-phenyl) octanoate Openeye Name: (2-bromo-4-cyano-6-iodo-phenyl) octanoate CAS Name: octanoic acid (2-bromo-4-cyano-6-iodophenyl) ester IUPAC Name: (2-bromo-4-cyano-6-iodophenyl) octanoate Traditional Name: caprylic acid (2-bromo-4-cyano-6-iodo-phenyl) ester Formula: C15H17BrINO2 MolecularWeight: 450.10945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrINO2/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