tetrasodium 3-carboxy-3-oxidanyl-pentanedioate trihydrate

Systemtic Name: tetrasodium 3-carboxy-3-oxidanyl-pentanedioate trihydrate Openeye Name: tetrasodium 3-carboxy-3-hydroxy-pentanedioate trihydrate CAS Name: tetrasodium 3-carboxy-3-hydroxypentanedioate trihydrate IUPAC Name: tetrasodium 3-carboxy-3-hydroxypentanedioate trihydrate Traditional Name: tetrasodium 3-carboxy-3-hydroxy-glutarate trihydrate Formula: C12H18Na4O17 MolecularWeight: 526.2202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H8O7.4Na.3H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;3*1H2/q;;4*+1;;;/p-4