93963-73-6 Purity
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Specification
The molecular formula is C39H75FeO6.
The molecular weight is 695.9 g/mol.
Some synonyms include Iron(3+) isotridecanoate, EINECS 300-831-1, and 93963-86-1.
The IUPAC name is iron(3+);11-methyldodecanoate.
The InChIKey is BGTRRPDEOGWJFI-UHFFFAOYSA-K.
The canonical SMILES is CC(C)CCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCC(=O)[O-].[Fe+3].
The exact mass is 695.491301 g/mol.
There are 0 hydrogen bond donor counts.
There are 6 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.