calcium zirconium(4+) hexaphosphate

Systemtic Name: calcium zirconium(4+) hexaphosphate Openeye Name: calcium zirconium(4+) hexaphosphate CAS Name: calcium zirconium(4+) hexaphosphate IUPAC Name: calcium zirconium(4+) hexaphosphate Traditional Name: calcium zirconium(4+) hexaphosphate Formula: CaO24P6Zr4 MolecularWeight: 974.802166

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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-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Zr+4].[Zr+4].[Zr+4].[Zr+4]

Isomeric SMILES

[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Zr+4].[Zr+4].[Zr+4].[Zr+4]

InChI

InChI=1S/Ca.6H3O4P.4Zr/c;6*1-5(2,3)4;;;;/h;6*(H3,1,2,3,4);;;;/q+2;;;;;;;4*+4/p-18