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

Systemtic Name: 2,4,6-tris(iodanyl)-5-[(5-methoxy-5-oxidanylidene-pentanoyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 2,4,6-triiodo-5-[(5-methoxy-5-oxo-pentanoyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 2,4,6-triiodo-5-[(5-methoxy-1,5-dioxopentyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 2,4,6-triiodo-5-[(5-methoxy-5-oxopentanoyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 2,4,6-triiodo-5-[(5-keto-5-methoxy-pentanoyl)amino]isophthalic acid Formula: C14H12I3NO7 MolecularWeight: 686.96099

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I

Isomeric SMILES

COC(=O)CCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I

InChI

InChI=1S/C14H12I3NO7/c1-25-6(20)4-2-3-5(19)18-12-10(16)7(13(21)22)9(15)8(11(12)17)14(23)24/h2-4H2,1H3,(H,18,19)(H,21,22)(H,23,24)