tripotassium; trisodium; methane; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tripotassium; trisodium; methane; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tripotassium trisodium methane dicitrate CAS Name: tripotassium; trisodium; 2-hydroxypropane-1,2,3-tricarboxylate; methane IUPAC Name: tripotassium; trisodium; 2-hydroxypropane-1,2,3-tricarboxylate; methane Traditional Name: tripotassium trisodium methane dicitrate Formula: C13H14K3Na3O14 MolecularWeight: 580.50607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H8O7.CH4.3K.3Na/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);1H4;;;;;;/q;;;6*+1/p-6