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

Systemtic Name: 3-[3-acetamido-2,4,6-tris(iodanyl)phenyl]pentanedioic acid Openeye Name: 3-(3-acetamido-2,4,6-triiodo-phenyl)pentanedioic acid CAS Name: 3-(3-acetamido-2,4,6-triiodophenyl)pentanedioic acid IUPAC Name: 3-(3-acetamido-2,4,6-triiodophenyl)pentanedioic acid Traditional Name: 3-(3-acetamido-2,4,6-triiodo-phenyl)glutaric acid Formula: C13H12I3NO5 MolecularWeight: 642.95149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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