calcium phosphonato phosphate dihydrate

Systemtic Name: calcium phosphonato phosphate dihydrate Openeye Name: calcium phosphonato phosphate dihydrate CAS Name: calcium phosphonato phosphate dihydrate IUPAC Name: calcium phosphonato phosphate dihydrate Traditional Name: calcium phosphonato phosphate dihydrate Formula: CaH4O9P2-2 MolecularWeight: 250.051882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/Ca.H4O7P2.2H2O/c;1-8(2,3)7-9(4,5)6;;/h;(H2,1,2,3)(H2,4,5,6);2*1H2/q+2;;;/p-4