dicalcium phosphonato phosphate phosphate

Systemtic Name: dicalcium phosphonato phosphate phosphate Openeye Name: dicalcium phosphonato phosphate phosphate CAS Name: dicalcium phosphonato phosphate phosphate IUPAC Name: dicalcium phosphonato phosphate phosphate Traditional Name: dicalcium phosphonato phosphate phosphate Formula: Ca2O11P3-3 MolecularWeight: 349.070683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2Ca.H4O7P2.H3O4P/c;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)/q2*+2;;/p-7