calcium phosphonato phosphate pentahydrate

Systemtic Name: calcium phosphonato phosphate pentahydrate Openeye Name: calcium phosphonato phosphate pentahydrate CAS Name: calcium phosphonato phosphate pentahydrate IUPAC Name: calcium phosphonato phosphate pentahydrate Traditional Name: calcium phosphonato phosphate pentahydrate Formula: CaH10O12P2-2 MolecularWeight: 304.097722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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