33991-01-4 Purity
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Specification
The molecular formula is C3F9NdO9S3.
The molecular weight is 591.5 g/mol.
The IUPAC name is neodymium(3+);trifluoromethanesulfonate.
The InChI is InChI=1S/3CHF3O3S.Nd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3.
The InChIKey is WYRSPTDNOIZOGA-UHFFFAOYSA-K.
The canonical SMILES is C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Nd+3].
The CAS number is 34622-08-7.
The European Community (EC) Number is 627-624-1.
The hydrogen bond donor count is 0.
Yes, it is considered as a canonical compound.