3-[[(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]methyl]-4-oxidanyl-benzoate

Systemtic Name: 3-[[(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]methyl]-4-oxidanyl-benzoate Openeye Name: 4-hydroxy-3-[[(2-oxido-2-oxo-ethyl)ammonio]methyl]benzoate CAS Name: 4-hydroxy-3-[[(2-oxido-2-oxoethyl)ammonio]methyl]benzoate IUPAC Name: 4-hydroxy-3-[[(2-oxido-2-oxoethyl)azaniumyl]methyl]benzoate Traditional Name: 4-hydroxy-3-[[(2-keto-2-oxido-ethyl)ammonio]methyl]benzoate Formula: C10H10NO5- MolecularWeight: 224.1901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])C[NH2+]CC(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])C[NH2+]CC(=O)[O-])O

InChI

InChI=1S/C10H11NO5/c12-8-2-1-6(10(15)16)3-7(8)4-11-5-9(13)14/h1-3,11-12H,4-5H2,(H,13,14)(H,15,16)/p-1