pentacalcium diphosphate disulfate

Systemtic Name: pentacalcium diphosphate disulfate Openeye Name: pentacalcium diphosphate disulfate CAS Name: pentacalcium diphosphate disulfate IUPAC Name: pentacalcium diphosphate disulfate Traditional Name: pentacalcium diphosphate disulfate Formula: Ca5O16P2S2 MolecularWeight: 582.457922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5Ca.2H3O4P.2H2O4S/c;;;;;4*1-5(2,3)4/h;;;;;2*(H3,1,2,3,4);2*(H2,1,2,3,4)/q5*+2;;;;/p-10