4-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)benzoic acid

Systemtic Name: 4-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)benzoic acid Openeye Name: 4-(2-acetamido-3-hydroxy-3-oxo-propyl)benzoic acid CAS Name: 4-(2-acetamido-3-hydroxy-3-oxopropyl)benzoic acid IUPAC Name: 4-(2-acetamido-3-hydroxy-3-oxopropyl)benzoic acid Traditional Name: 4-(2-acetamido-3-hydroxy-3-keto-propyl)benzoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO5/c1-7(14)13-10(12(17)18)6-8-2-4-9(5-3-8)11(15)16/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)(H,17,18)