Date Severity Status Feedback
Apr 19 2023 7:46AM Normal Acknowledged IUPAC Name of C10H10 is "FERROCENE"
This structure is already associated with that name
Jul 1 2014 8:10AM Normal Acknowledged Dear chemspiderman, ferocene has another entry http://www.chemspider.com/Chemical-Structure.7329.html I'm not sure which should be deprecated, though, but SMILES structure looks reasonable for id 21865087. what do you think? Best regards, Nakata Maho
Thank you for your feedback. Chemical drawing packages and the InChi have limited support for organometallics like ferrocene. In particular, the InChi, which is the key for our database, only recognises simple atom-to-atom covalent bonds - it cannot recognise the eta-5 bonding found in ferrocene. There are a few different possible compromise structures which our database can handle, including this one and CSID 7329. However, none of these structures is entirely right. Since all of these records have useful data against them, for the moment they can probably all stay.
Dec 20 2013 4:40PM Normal Acknowledged There is no average or monoisotopic mass shown, should be around 185.8 Da I think
Thank you for your comments. Organometallic species are actually a very difficult problem for structural representation, as most chemical drawing packages do not use formats that properly encode the structure in a machine readable way. This is a representation that a human may understand as it gives the impression of neta-5 bonding, however it cannot be understood my most chemical structure processing algorithms. http://www.chemspider.com/Chemical-Structure.7329.html gives a representation that is less favorable to the human eye but is better for computer processing and storage, and hence contains the data that you are interested in.