tricalcium oxidanidyl(oxidanylidene)alumane hydrate

Systemtic Name: tricalcium oxidanidyl(oxidanylidene)alumane hydrate Openeye Name: tricalcium oxido(oxo)alumane hydrate CAS Name: tricalcium oxido(oxo)alumane hydrate IUPAC Name: tricalcium oxido(oxo)alumane hydrate Traditional Name: tricalcium keto(oxido)alumane hydrate Formula: Al6Ca3H2O13 MolecularWeight: 492.131308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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-][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.H2O.12O/h;;;;;;;;;1H2;;;;;;;;;;;;/q;;;;;;3*+2;;;;;;;;6*-1