tetracalcium diphosphate sulfate

Systemtic Name: tetracalcium diphosphate sulfate Openeye Name: tetracalcium diphosphate sulfate CAS Name: tetracalcium diphosphate sulfate IUPAC Name: tetracalcium diphosphate sulfate Traditional Name: tetracalcium diphosphate sulfate Formula: Ca4O12P2S MolecularWeight: 446.317322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/4Ca.2H3O4P.H2O4S/c;;;;3*1-5(2,3)4/h;;;;2*(H3,1,2,3,4);(H2,1,2,3,4)/q4*+2;;;/p-8