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

Systemtic Name: 2-[[3-acetamido-2,4,6-tris(iodanyl)phenyl]methyl]pentanedioic acid Openeye Name: 2-[(3-acetamido-2,4,6-triiodo-phenyl)methyl]pentanedioic acid CAS Name: 2-[(3-acetamido-2,4,6-triiodophenyl)methyl]pentanedioic acid IUPAC Name: 2-[(3-acetamido-2,4,6-triiodophenyl)methyl]pentanedioic acid Traditional Name: 2-(3-acetamido-2,4,6-triiodo-benzyl)glutaric acid Formula: C14H14I3NO5 MolecularWeight: 656.97807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14I3NO5/c1-6(19)18-13-10(16)5-9(15)8(12(13)17)4-7(14(22)23)2-3-11(20)21/h5,7H,2-4H2,1H3,(H,18,19)(H,20,21)(H,22,23)