tricalcium oxidanyl(oxidanylidene)alumane diphosphate

Systemtic Name: tricalcium oxidanyl(oxidanylidene)alumane diphosphate Openeye Name: tricalcium hydroxy(oxo)alumane diphosphate CAS Name: tricalcium hydroxy(oxo)alumane diphosphate IUPAC Name: tricalcium hydroxy(oxo)alumane diphosphate Traditional Name: tricalcium hydroxy(keto)alumane diphosphate Formula: AlCa3HO10P2 MolecularWeight: 370.165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/Al.3Ca.2H3O4P.H2O.O/c;;;;2*1-5(2,3)4;;/h;;;;2*(H3,1,2,3,4);1H2;/q+1;3*+2;;;;/p-7