sodium 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate hydrate

Systemtic Name: sodium 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate hydrate Openeye Name: sodium 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate hydrate CAS Name: sodium 3-carboxy-3,5-dihydroxy-5-oxopentanoate hydrate IUPAC Name: sodium 3-carboxy-3,5-dihydroxy-5-oxopentanoate hydrate Traditional Name: sodium 3-carboxy-3,5-dihydroxy-5-keto-valerate hydrate Formula: C6H9NaO8 MolecularWeight: 232.12063

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.O.[Na+]

Isomeric SMILES

C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.O.[Na+]

InChI

InChI=1S/C6H8O7.Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H2/q;+1;/p-1