potassium (2S,3S)-3,4-bis(oxidanyl)-4-oxidanylidene-2-(phenylcarbonyloxy)butanoate

Systemtic Name: potassium (2S,3S)-3,4-bis(oxidanyl)-4-oxidanylidene-2-(phenylcarbonyloxy)butanoate Openeye Name: potassium (2S,3S)-2-benzoyloxy-3,4-dihydroxy-4-oxo-butanoate CAS Name: potassium (2S,3S)-2-benzoyloxy-3,4-dihydroxy-4-oxobutanoate IUPAC Name: potassium (2S,3S)-2-benzoyloxy-3,4-dihydroxy-4-oxobutanoate Traditional Name: potassium (2S,3S)-2-benzoyloxy-3,4-dihydroxy-4-keto-butyrate Formula: C11H9KO7 MolecularWeight: 292.28326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)O)C(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)O)C(=O)[O-].[K+]

InChI

InChI=1S/C11H10O7.K/c12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6;/h1-5,7-8,12H,(H,13,14)(H,15,16);/q;+1/p-1/t7-,8-;/m0./s1