2,4,6-tris(iodanyl)-5-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4,6-tris(iodanyl)-5-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(5-hydroxy-5-oxo-pentanoyl)amino]-2,4,6-triiodo-benzene-1,3-dicarboxylic acid CAS Name: 5-[(5-hydroxy-1,5-dioxopentyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid IUPAC Name: 5-[(5-hydroxy-5-oxopentanoyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid Traditional Name: 5-[(5-hydroxy-5-keto-pentanoyl)amino]-2,4,6-triiodo-isophthalic acid Formula: C13H10I3NO7 MolecularWeight: 672.93441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10I3NO7/c14-8-6(12(21)22)9(15)11(10(16)7(8)13(23)24)17-4(18)2-1-3-5(19)20/h1-3H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)