tricalcium oxidanylidenezirconium(2+) tetraphosphate

Systemtic Name: tricalcium oxidanylidenezirconium(2+) tetraphosphate Openeye Name: tricalcium oxozirconium(2+) tetraphosphate CAS Name: tricalcium oxozirconium(2+) tetraphosphate IUPAC Name: tricalcium oxozirconium(2+) tetraphosphate Traditional Name: tricalcium ketozirconium(2+) tetraphosphate Formula: Ca3O19P4Zr3 MolecularWeight: 821.789644

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Descriptors Computed from Structure

Canonical SMILES:

[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].O=[Zr+2].O=[Zr+2].O=[Zr+2].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].O=[Zr+2].O=[Zr+2].O=[Zr+2].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/3Ca.4H3O4P.3O.3Zr/c;;;4*1-5(2,3)4;;;;;;/h;;;4*(H3,1,2,3,4);;;;;;/q3*+2;;;;;;;;3*+2/p-12