manganese(2+); zirconium(4+); tetraborate; diphosphate

Systemtic Name: manganese(2+); zirconium(4+); tetraborate; diphosphate Openeye Name: trimanganous zirconium(4+) tetraborate diphosphate CAS Name: manganese(2+); zirconium(4+); tetraborate; diphosphate IUPAC Name: manganese(2+); zirconium(4+); tetraborate; diphosphate Traditional Name: trimanganous zirconium(4+) tetraborate diphosphate Formula: B4Mn3O20P2Zr3 MolecularWeight: 863.665669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4BO3.3Mn.2H3O4P.3Zr/c4*2-1(3)4;;;;2*1-5(2,3)4;;;/h;;;;;;;2*(H3,1,2,3,4);;;/q4*-3;3*+2;;;3*+4/p-6