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

Systemtic Name: 3-[3-acetamido-2,4,6-tris(iodanyl)phenyl]propanoic acid Openeye Name: 3-(3-acetamido-2,4,6-triiodo-phenyl)propanoic acid CAS Name: 3-(3-acetamido-2,4,6-triiodophenyl)propanoic acid IUPAC Name: 3-(3-acetamido-2,4,6-triiodophenyl)propanoic acid Traditional Name: 3-(3-acetamido-2,4,6-triiodo-phenyl)propionic acid Formula: C11H10I3NO3 MolecularWeight: 584.91541

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1I)CCC(=O)O)I)I

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1I)CCC(=O)O)I)I

InChI

InChI=1S/C11H10I3NO3/c1-5(16)15-11-8(13)4-7(12)6(10(11)14)2-3-9(17)18/h4H,2-3H2,1H3,(H,15,16)(H,17,18)