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The molecular formula is C16H22FeS.
The synonyms are 6-(Mercaptohexyl)ferrocene, MFCD09265168, AKOS025294325, and FT-0699376.
The molecular weight is 302.3 g/mol.
The component compounds are (Cyclopentadienyl), (CID 16218379), and (Iron).
The InChI is InChI=1S/C11H17S.C5H5.Fe/c12-10-6-2-1-3-7-11-8-4-5-9-11;1-2-4-5-3-1;/h4-5,8-9,12H,1-3,6-7,10H2;1-5H.
The InChIKey is YENJERDZPAXYRX-UHFFFAOYSA-N.
The canonical SMILES is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)CCCCCCS.[Fe].
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 1.
Yes, (056-(Ferrocenyl)hexanethiol) is canonicalized.
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