2-[3-(2-carboxyethyl)-4-oxidanyl-phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[3-(2-carboxyethyl)-4-oxidanyl-phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 2-[3-(2-carboxyethyl)-4-hydroxy-phenyl]-5-oxo-pentanoic acid CAS Name: 2-[3-(2-carboxyethyl)-4-hydroxyphenyl]-5-oxopentanoic acid IUPAC Name: 2-[3-(2-carboxyethyl)-4-hydroxyphenyl]-5-oxopentanoic acid Traditional Name: 2-[3-(2-carboxyethyl)-4-hydroxy-phenyl]-5-keto-valeric acid Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CCC=O)C(=O)O)CCC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(CCC=O)C(=O)O)CCC(=O)O)O

InChI

InChI=1S/C14H16O6/c15-7-1-2-11(14(19)20)9-3-5-12(16)10(8-9)4-6-13(17)18/h3,5,7-8,11,16H,1-2,4,6H2,(H,17,18)(H,19,20)