oxidanylidenezirconium(2+); 2-oxidanylpropane-1,2,3-tricarboxylate; chloride

Systemtic Name: oxidanylidenezirconium(2+); 2-oxidanylpropane-1,2,3-tricarboxylate; chloride Openeye Name: oxozirconium(2+) chloride citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; oxozirconium(2+); chloride IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; oxozirconium(2+); chloride Traditional Name: ketozirconium(2+) chloride citrate Formula: C6H5ClO9Zr2 MolecularWeight: 438.9995

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O=[Zr+2].O=[Zr+2].[Cl-]

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O=[Zr+2].O=[Zr+2].[Cl-]

InChI

InChI=1S/C6H8O7.ClH.2O.2Zr/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);1H;;;;/q;;;;2*+2/p-4