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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O

Isomeric SMILES

CCCC(C1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O

InChI

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