tripotassium trisodium 2-oxidanylpropane-1,2,3-tricarboxylate hydrate

Systemtic Name: tripotassium trisodium 2-oxidanylpropane-1,2,3-tricarboxylate hydrate Openeye Name: tripotassium trisodium dicitrate hydrate CAS Name: tripotassium trisodium 2-hydroxypropane-1,2,3-tricarboxylate hydrate IUPAC Name: tripotassium trisodium 2-hydroxypropane-1,2,3-tricarboxylate hydrate Traditional Name: tripotassium trisodium dicitrate hydrate Formula: C12H12K3Na3O15 MolecularWeight: 582.47889

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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.[Na+].[Na+].[Na+].[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.O.[Na+].[Na+].[Na+].[K+].[K+].[K+]

InChI

InChI=1S/2C6H8O7.3K.3Na.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;;6*+1;/p-6