tricalcium oxidanyl(oxidanylidene)alumane trisulfate hydrate

Systemtic Name: tricalcium oxidanyl(oxidanylidene)alumane trisulfate hydrate Openeye Name: tricalcium hydroxy(oxo)alumane trisulfate hydrate CAS Name: tricalcium hydroxy(oxo)alumane trisulfate hydrate IUPAC Name: tricalcium hydroxy(oxo)alumane trisulfate hydrate Traditional Name: tricalcium hydroxy(keto)alumane trisulfate hydrate Formula: AlCa3H3O15S3 MolecularWeight: 486.425358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/Al.3Ca.3H2O4S.2H2O.O/c;;;;3*1-5(2,3)4;;;/h;;;;3*(H2,1,2,3,4);2*1H2;/q+1;3*+2;;;;;;/p-7