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

Systemtic Name: 3-[3-acetamido-2,4,6-tris(iodanyl)phenyl]pentanoic acid Openeye Name: 3-(3-acetamido-2,4,6-triiodo-phenyl)pentanoic acid CAS Name: 3-(3-acetamido-2,4,6-triiodophenyl)pentanoic acid IUPAC Name: 3-(3-acetamido-2,4,6-triiodophenyl)pentanoic acid Traditional Name: 3-(3-acetamido-2,4,6-triiodo-phenyl)valeric acid Formula: C13H14I3NO3 MolecularWeight: 612.96857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14I3NO3/c1-3-7(4-10(19)20)11-8(14)5-9(15)13(12(11)16)17-6(2)18/h5,7H,3-4H2,1-2H3,(H,17,18)(H,19,20)