pentaaluminum decamagnesium hentriacontahydroxide disulfate

Systemtic Name: pentaaluminum decamagnesium hentriacontahydroxide disulfate Openeye Name: pentaaluminum decamagnesium hentriacontahydroxide disulfate CAS Name: pentaaluminum decamagnesium hentriacontahydroxide disulfate IUPAC Name: pentaaluminum decamagnesium hentriacontahydroxide disulfate Traditional Name: pentaaluminum decamagnesium hentriacontahydroxide disulfate Formula: Al5H31Mg10O39S2 MolecularWeight: 1097.31043

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Descriptors Computed from Structure

Canonical SMILES:

[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3]

Isomeric SMILES

[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3]

InChI

InChI=1S/5Al.10Mg.2H2O4S.31H2O/c;;;;;;;;;;;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;2*(H2,1,2,3,4);31*1H2/q5*+3;10*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-35