trisodium 2-oxidanylpropane-1,2,3-tricarboxylate dihydrate

Systemtic Name: trisodium 2-oxidanylpropane-1,2,3-tricarboxylate dihydrate Openeye Name: trisodium dicitrate dihydrate CAS Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate IUPAC Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate Traditional Name: trisodium dicitrate dihydrate Formula: C12H14Na3O16-3 MolecularWeight: 483.19927

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

InChI

InChI=1S/2C6H8O7.3Na.2H2O/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);;;;2*1H2/q;;3*+1;;/p-6