2-[3-cyano-2,4,6-tris(iodanyl)phenoxy]ethanoic acid

Systemtic Name: 2-[3-cyano-2,4,6-tris(iodanyl)phenoxy]ethanoic acid Openeye Name: 2-(3-cyano-2,4,6-triiodo-phenoxy)acetic acid CAS Name: 2-(3-cyano-2,4,6-triiodophenoxy)acetic acid IUPAC Name: 2-(3-cyano-2,4,6-triiodophenoxy)acetic acid Traditional Name: 2-(3-cyano-2,4,6-triiodo-phenoxy)acetic acid Formula: C9H4I3NO3 MolecularWeight: 554.84637

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)OCC(=O)O)I)C#N)I

Isomeric SMILES

C1=C(C(=C(C(=C1I)OCC(=O)O)I)C#N)I

InChI

InChI=1S/C9H4I3NO3/c10-5-1-6(11)9(16-3-7(14)15)8(12)4(5)2-13/h1H,3H2,(H,14,15)