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

Systemtic Name: sodium 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate dihydrate Openeye Name: sodium 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate dihydrate CAS Name: sodium 3-carboxy-3,5-dihydroxy-5-oxopentanoate dihydrate IUPAC Name: sodium 3-carboxy-3,5-dihydroxy-5-oxopentanoate dihydrate Traditional Name: sodium 3-carboxy-3,5-dihydroxy-5-keto-valerate dihydrate Formula: C6H11NaO9 MolecularWeight: 250.13591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.Na.2H2O/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);;2*1H2/q;+1;;/p-1