3-[3-cyano-2,4,6-tris(iodanyl)phenyl]propanoic acid

Systemtic Name: 3-[3-cyano-2,4,6-tris(iodanyl)phenyl]propanoic acid Openeye Name: 3-(3-cyano-2,4,6-triiodo-phenyl)propanoic acid CAS Name: 3-(3-cyano-2,4,6-triiodophenyl)propanoic acid IUPAC Name: 3-(3-cyano-2,4,6-triiodophenyl)propanoic acid Traditional Name: 3-(3-cyano-2,4,6-triiodo-phenyl)propionic acid Formula: C10H6I3NO2 MolecularWeight: 552.87355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6I3NO2/c11-7-3-8(12)6(4-14)10(13)5(7)1-2-9(15)16/h3H,1-2H2,(H,15,16)