pentacalcium triphosphate hydrochloride

Systemtic Name: pentacalcium triphosphate hydrochloride Openeye Name: pentacalcium triphosphate hydrochloride CAS Name: pentacalcium triphosphate hydrochloride IUPAC Name: pentacalcium triphosphate hydrochloride Traditional Name: pentacalcium triphosphate hydrochloride Formula: Ca5ClHO12P3+ MolecularWeight: 521.765023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5Ca.ClH.3H3O4P/c;;;;;;3*1-5(2,3)4/h;;;;;1H;3*(H3,1,2,3,4)/q5*+2;;;;/p-9