tricalcium nickel(2+) diphosphate

Systemtic Name: tricalcium nickel(2+) diphosphate Openeye Name: tricalcium trinickelous diphosphate CAS Name: tricalcium nickel(2+) diphosphate IUPAC Name: tricalcium nickel(2+) diphosphate Traditional Name: tricalcium trinickelous diphosphate Formula: Ca3Ni3O8P2+6 MolecularWeight: 486.256922

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Descriptors Computed from Structure

Canonical SMILES:

[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ni+2].[Ni+2].[Ni+2]

Isomeric SMILES

[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ni+2].[Ni+2].[Ni+2]

InChI

InChI=1S/3Ca.3Ni.2H3O4P/c;;;;;;2*1-5(2,3)4/h;;;;;;2*(H3,1,2,3,4)/q6*+2;;/p-6