iron(3+); phosphonato phosphate

Systemtic Name: iron(3+); phosphonato phosphate Openeye Name: tetraferric phosphonato phosphate CAS Name: iron(3+); phosphonato phosphate IUPAC Name: iron(3+); phosphonato phosphate Traditional Name: tetraferric phosphonato phosphate Formula: Fe4O21P6 MolecularWeight: 745.209966

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Descriptors Computed from Structure

Canonical SMILES:

[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

Isomeric SMILES

[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/4Fe.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12