hexapotassium sodium 2-oxidanylpropane-1,2,3-tricarboxylate hydroxide

Systemtic Name: hexapotassium sodium 2-oxidanylpropane-1,2,3-tricarboxylate hydroxide Openeye Name: hexapotassium sodium dicitrate hydroxide CAS Name: hexapotassium sodium 2-hydroxypropane-1,2,3-tricarboxylate hydroxide IUPAC Name: hexapotassium sodium 2-hydroxypropane-1,2,3-tricarboxylate hydroxide Traditional Name: hexapotassium sodium dicitrate hydroxide Formula: C12H11K6NaO15 MolecularWeight: 652.78631

Click to see the large picture

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.[OH-].[Na+].[K+].[K+].[K+].[K+].[K+].[K+]

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.[OH-].[Na+].[K+].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/2C6H8O7.6K.Na.H2O/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);;;;;;;;1H2/q;;7*+1;/p-7