2-acetamido-3-[4-acetyloxy-3,5-bis(iodanyl)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-acetyloxy-3,5-bis(iodanyl)phenyl]propanoic acid Openeye Name: 2-acetamido-3-(4-acetoxy-3,5-diiodo-phenyl)propanoic acid CAS Name: 2-acetamido-3-(4-acetyloxy-3,5-diiodophenyl)propanoic acid IUPAC Name: 2-acetamido-3-(4-acetyloxy-3,5-diiodophenyl)propanoic acid Traditional Name: 2-acetamido-3-(4-acetoxy-3,5-diiodo-phenyl)propionic acid Formula: C13H13I2NO5 MolecularWeight: 517.05496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C(=C1)I)OC(=O)C)I)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C(=C1)I)OC(=O)C)I)C(=O)O

InChI

InChI=1S/C13H13I2NO5/c1-6(17)16-11(13(19)20)5-8-3-9(14)12(10(15)4-8)21-7(2)18/h3-4,11H,5H2,1-2H3,(H,16,17)(H,19,20)