tricalcium; hydrogen sulfate; oxidanidyl(oxidanylidene)alumane; disulfate; hydrate

Systemtic Name: tricalcium; hydrogen sulfate; oxidanidyl(oxidanylidene)alumane; disulfate; hydrate Openeye Name: tricalcium; hydrogen sulfate; oxido(oxo)alumane; disulfate; hydrate CAS Name: tricalcium; hydrogen sulfate; oxido(oxo)alumane; disulfate; hydrate IUPAC Name: tricalcium; hydrogen sulfate; oxido(oxo)alumane; disulfate; hydrate Traditional Name: tricalcium keto(oxido)alumane bisulfate disulfate hydrate Formula: AlCa3H3O15S3 MolecularWeight: 486.425358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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