pentaaluminum triphosphate trisulfate

Systemtic Name: pentaaluminum triphosphate trisulfate Openeye Name: pentaaluminum triphosphate trisulfate CAS Name: pentaaluminum triphosphate trisulfate IUPAC Name: pentaaluminum triphosphate trisulfate Traditional Name: pentaaluminum triphosphate trisulfate Formula: Al5O24P3S3 MolecularWeight: 708.009573

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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-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3]

Isomeric SMILES

[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3]

InChI

InChI=1S/5Al.3H3O4P.3H2O4S/c;;;;;6*1-5(2,3)4/h;;;;;3*(H3,1,2,3,4);3*(H2,1,2,3,4)/q5*+3;;;;;;/p-15