ethane; 2-oxidanylpropane-1,2,3-tricarboxylate; zirconium(2+); zirconium(4+)

Systemtic Name: ethane; 2-oxidanylpropane-1,2,3-tricarboxylate; zirconium(2+); zirconium(4+) Openeye Name: ethane; zirconium(2+); zirconium(4+); tetracitrate CAS Name: ethane; 2-hydroxypropane-1,2,3-tricarboxylate; zirconium(2+); zirconium(4+) IUPAC Name: ethane; 2-hydroxypropane-1,2,3-tricarboxylate; zirconium(2+); zirconium(4+) Traditional Name: ethane; zirconium(2+); zirconium(4+); tetracitrate Formula: C28H30O28Zr3-4 MolecularWeight: 1088.193

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].C[CH2-].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.[Zr+2].[Zr+4].[Zr+4]

Isomeric SMILES

C[CH2-].C[CH2-].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.[Zr+2].[Zr+4].[Zr+4]

InChI

InChI=1S/4C6H8O7.2C2H5.3Zr/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;2*1-2;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2,2H3;;;/q;;;;2*-1;+2;2*+4/p-12