1-[(2S)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 1-[(2S)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 1-[(2S)-2-azaniumyl-3-oxido-3-oxo-propyl]-4-hydroxy-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-[(2S)-2-ammonio-3-oxido-3-oxopropyl]-4-hydroxy-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 1-[(2S)-2-azaniumyl-3-oxido-3-oxopropyl]-4-hydroxycyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-[(2S)-2-ammonio-3-keto-3-oxido-propyl]-4-hydroxy-cyclohexa-2,5-diene-1-carboxylate Formula: C10H12NO5- MolecularWeight: 226.20598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC1O)(CC(C(=O)[O-])[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CC(C=CC1O)(C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-]

InChI

InChI=1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/p-1/t6?,7-,10?/m0/s1