tricalcium oxidanidyl(oxidanylidene)alumane disulfate

Systemtic Name: tricalcium oxidanidyl(oxidanylidene)alumane disulfate Openeye Name: tricalcium oxido(oxo)alumane disulfate CAS Name: tricalcium oxido(oxo)alumane disulfate IUPAC Name: tricalcium oxido(oxo)alumane disulfate Traditional Name: tricalcium keto(oxido)alumane disulfate Formula: Al2Ca3O12S2 MolecularWeight: 430.319876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2Al.3Ca.2H2O4S.4O/c;;;;;2*1-5(2,3)4;;;;/h;;;;;2*(H2,1,2,3,4);;;;/q;;3*+2;;;;;2*-1/p-4