2-[3-acetamido-2,4,6-tris(iodanyl)phenyl]butanoic acid

Systemtic Name: 2-[3-acetamido-2,4,6-tris(iodanyl)phenyl]butanoic acid Openeye Name: 2-(3-acetamido-2,4,6-triiodo-phenyl)butanoic acid CAS Name: 2-(3-acetamido-2,4,6-triiodophenyl)butanoic acid IUPAC Name: 2-(3-acetamido-2,4,6-triiodophenyl)butanoic acid Traditional Name: 2-(3-acetamido-2,4,6-triiodo-phenyl)butyric acid Formula: C12H12I3NO3 MolecularWeight: 598.94199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O

Isomeric SMILES

CCC(C1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O

InChI

InChI=1S/C12H12I3NO3/c1-3-6(12(18)19)9-7(13)4-8(14)11(10(9)15)16-5(2)17/h4,6H,3H2,1-2H3,(H,16,17)(H,18,19)