98072-12-9 Purity
96%
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Specification
The molecular formula is Al2BaCa2O6.
The molecular weight is 367.44 g/mol.
The component compounds are Calcium (CID 5460341), Oxide (CID 190217), Aluminum (CID 5359268), and Barium (CID 5355457).
It was created on February 16, 2015.
It was last modified on December 30, 2023.
The IUPAC name is dialuminum;dicalcium;barium(2+);oxygen(2-).
The InChI is InChI=1S/2Al.Ba.2Ca.6O/q2*+3;3*+2;6*-2.
The InChIKey is COUDRHWBDJWXMI-UHFFFAOYSA-N.
The canonical SMILES is [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Ca+2].[Ca+2].[Ba+2].
Yes, the compound is canonicalized.