tricalcium barium(2+) tetraphosphate

Systemtic Name: tricalcium barium(2+) tetraphosphate Openeye Name: tricalcium barium(2+) tetraphosphate CAS Name: tricalcium barium(2+) tetraphosphate IUPAC Name: tricalcium barium(2+) tetraphosphate Traditional Name: tricalcium barium(2+) tetraphosphate Formula: Ba3Ca3O16P4 MolecularWeight: 912.100444

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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-].[Ca+2].[Ca+2].[Ca+2].[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-].[Ca+2].[Ca+2].[Ca+2].[Ba+2].[Ba+2].[Ba+2]

InChI

InChI=1S/3Ba.3Ca.4H3O4P/c;;;;;;4*1-5(2,3)4/h;;;;;;4*(H3,1,2,3,4)/q6*+2;;;;/p-12