phosphonato phosphate; zirconium(4+); tetraphosphate

Systemtic Name: phosphonato phosphate; zirconium(4+); tetraphosphate Openeye Name: phosphonato phosphate; zirconium(4+); tetraphosphate CAS Name: phosphonato phosphate; zirconium(4+); tetraphosphate IUPAC Name: phosphonato phosphate; zirconium(4+); tetraphosphate Traditional Name: phosphonato phosphate; zirconium(4+); tetraphosphate Formula: O44P12Zr7 MolecularWeight: 1714.226732

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

InChI

InChI=1S/4H4O7P2.4H3O4P.7Zr/c4*1-8(2,3)7-9(4,5)6;4*1-5(2,3)4;;;;;;;/h4*(H2,1,2,3)(H2,4,5,6);4*(H3,1,2,3,4);;;;;;;/q;;;;;;;;7*+4/p-28