tetracalcium diphosphate sulfate tetrahydrate

Systemtic Name: tetracalcium diphosphate sulfate tetrahydrate Openeye Name: tetracalcium diphosphate sulfate tetrahydrate CAS Name: tetracalcium diphosphate sulfate tetrahydrate IUPAC Name: tetracalcium diphosphate sulfate tetrahydrate Traditional Name: tetracalcium diphosphate sulfate tetrahydrate Formula: Ca4H8O16P2S MolecularWeight: 518.378442

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Descriptors Computed from Structure

Canonical SMILES:

O.O.O.O.[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.O.O.O.[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.4H2O/c;;;;3*1-5(2,3)4;;;;/h;;;;2*(H3,1,2,3,4);(H2,1,2,3,4);4*1H2/q4*+2;;;;;;;/p-8