potassium 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: potassium 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: potassium tetracitrate CAS Name: potassium 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: potassium 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: potassium tetracitrate Formula: C24H20KO28-11 MolecularWeight: 795.4971

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

InChI

InChI=1S/4C6H8O7.K/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;;;+1/p-12