tetracalcium oxidanidyl(oxidanylidene)alumane diphosphate

Systemtic Name: tetracalcium oxidanidyl(oxidanylidene)alumane diphosphate Openeye Name: tetracalcium oxido(oxo)alumane diphosphate CAS Name: tetracalcium oxido(oxo)alumane diphosphate IUPAC Name: tetracalcium oxido(oxo)alumane diphosphate Traditional Name: tetracalcium keto(oxido)alumane diphosphate Formula: Al2Ca4O12P2 MolecularWeight: 468.215398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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