5-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(5-hydroxy-5-oxo-pentanoyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(5-hydroxy-1,5-dioxopentyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(5-hydroxy-5-oxopentanoyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(5-hydroxy-5-keto-pentanoyl)amino]isophthalic acid Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)NC(=O)CCCC(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)NC(=O)CCCC(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO7/c15-10(2-1-3-11(16)17)14-9-5-7(12(18)19)4-8(6-9)13(20)21/h4-6H,1-3H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)