tricalcium oxidanidyl(oxidanylidene)alumane hexahydrate

Systemtic Name: tricalcium oxidanidyl(oxidanylidene)alumane hexahydrate Openeye Name: tricalcium oxido(oxo)alumane hexahydrate CAS Name: tricalcium oxido(oxo)alumane hexahydrate IUPAC Name: tricalcium oxido(oxo)alumane hexahydrate Traditional Name: tricalcium keto(oxido)alumane hexahydrate Formula: Al6Ca3H12O18 MolecularWeight: 582.207708

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Descriptors Computed from Structure

Canonical SMILES:

O.O.O.O.O.O.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

O.O.O.O.O.O.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/6Al.3Ca.6H2O.12O/h;;;;;;;;;6*1H2;;;;;;;;;;;;/q;;;;;;3*+2;;;;;;;;;;;;;6*-1