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

Systemtic Name: 2-[3-acetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxybutanoic acid Openeye Name: 2-(3-acetamido-2,4,6-triiodo-benzoyl)oxybutanoic acid CAS Name: 2-[(3-acetamido-2,4,6-triiodophenyl)-oxomethoxy]butanoic acid IUPAC Name: 2-(3-acetamido-2,4,6-triiodobenzoyl)oxybutanoic acid Traditional Name: 2-(3-acetamido-2,4,6-triiodo-benzoyl)oxybutyric acid Formula: C13H12I3NO5 MolecularWeight: 642.95149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12I3NO5/c1-3-8(12(19)20)22-13(21)9-6(14)4-7(15)11(10(9)16)17-5(2)18/h4,8H,3H2,1-2H3,(H,17,18)(H,19,20)