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

Systemtic Name: tripotassium 2-oxidanylpropane-1,2,3-tricarboxylate dihydrate Openeye Name: tripotassium citrate dihydrate CAS Name: tripotassium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate IUPAC Name: tripotassium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate Traditional Name: tripotassium citrate dihydrate Formula: C6H9K3O9 MolecularWeight: 342.42516

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.[K+].[K+].[K+]

Isomeric SMILES

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

InChI

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