tetracalcium hydrogen phosphate diphosphate

Systemtic Name: tetracalcium hydrogen phosphate diphosphate Openeye Name: tetracalcium hydrogen phosphate diphosphate CAS Name: tetracalcium hydrogen phosphate diphosphate IUPAC Name: tetracalcium hydrogen phosphate diphosphate Traditional Name: tetracalcium hydrogen phosphate diphosphate Formula: Ca4HO12P3 MolecularWeight: 446.234023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4Ca.3H3O4P/c;;;;3*1-5(2,3)4/h;;;;3*(H3,1,2,3,4)/q4*+2;;;/p-8