3-[2-carboxy-4-(oxidanylamino)-4-oxidanylidene-butyl]benzoic acid

Systemtic Name: 3-[2-carboxy-4-(oxidanylamino)-4-oxidanylidene-butyl]benzoic acid Openeye Name: 3-[2-carboxy-4-(hydroxyamino)-4-oxo-butyl]benzoic acid CAS Name: 3-[2-carboxy-4-(hydroxyamino)-4-oxobutyl]benzoic acid IUPAC Name: 3-[2-carboxy-4-(hydroxyamino)-4-oxobutyl]benzoic acid Traditional Name: 3-[2-carboxy-4-(hydroxyamino)-4-keto-butyl]benzoic acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CC(=O)NO)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(CC(=O)NO)C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO6/c14-10(13-19)6-9(12(17)18)5-7-2-1-3-8(4-7)11(15)16/h1-4,9,19H,5-6H2,(H,13,14)(H,15,16)(H,17,18)