94232-44-7 Purity
96%
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Specification
The molecular formula is C12H6La2O12.
The molecular weight is 619.98 g/mol.
The IUPAC name is (E)-but-2-enedioate;lanthanum(3+).
The InChI is InChI=1S/3C4H4O4.2La/c3*5-3(6)1-2-4(7)8;;/h3*1-2H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/b3*2-1+;;.
The InChIKey is KDEPHUOMBPVSRY-SPSNFJOYSA-H.
The canonical SMILES is C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-].[La+3].[La+3].
The CAS number is 94232-48-1 and the European Community (EC) Number is 303-976-9.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 12.
Yes, Lanthanum(iii)2-butenedioate is canonicalized.