calcium phosphonato phosphate hydrate

Systemtic Name: calcium phosphonato phosphate hydrate Openeye Name: calcium phosphonato phosphate hydrate CAS Name: calcium phosphonato phosphate hydrate IUPAC Name: calcium phosphonato phosphate hydrate Traditional Name: calcium phosphonato phosphate hydrate Formula: CaH2O8P2-2 MolecularWeight: 232.036602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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