dialuminum trisulfate tetrapentacontahydrate

Systemtic Name: dialuminum trisulfate tetrapentacontahydrate Openeye Name: dialuminum trisulfate tetrapentacontahydrate CAS Name: dialuminum trisulfate tetrapentacontahydrate IUPAC Name: dialuminum trisulfate tetrapentacontahydrate Traditional Name: dialuminum trisulfate tetrapentacontahydrate Formula: Al2H108O66S3 MolecularWeight: 1314.975996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2Al.3H2O4S.54H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);54*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6