barium(2+); titanium(2+); zirconium(4+); tetraphosphate

Systemtic Name: barium(2+); titanium(2+); zirconium(4+); tetraphosphate Openeye Name: barium(2+); titanium(2+); zirconium(4+); tetraphosphate CAS Name: barium(2+); titanium(2+); zirconium(4+); tetraphosphate IUPAC Name: barium(2+); titanium(2+); zirconium(4+); tetraphosphate Traditional Name: barium(2+); titanium(2+); zirconium(4+); tetraphosphate Formula: Ba3O16P4Ti3Zr3+12 MolecularWeight: 1209.139444

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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-].[Ti+2].[Ti+2].[Ti+2].[Zr+4].[Zr+4].[Zr+4].[Ba+2].[Ba+2].[Ba+2]

Isomeric SMILES

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

InChI

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