Disagreement between which element the spiro atom should be: Ru and C

Issue #26 resolved
Anonymous created an issue

Latest implementation presents above message when spiro involves transition metal center. No problem before server update of 21-23 Jan, 2016.

Comments (1)

  1. Daniel Lowe repo owner

    Strictly speaking in IUPAC names when a spiro center involves a heteroatom that heteroatom is supposed to be specified in each of the individual rings (or the ruthenium should be applied to the complete spiro system i.e. be outside the spiro bracket). This change was designed to address the issue that it could be quite arbitrary which heteroatom was used when the rings are spiro fused.

    In the case you had the intended interpretation was pretty clear so the message you're seeing, will now only occur in the case where the conflicting elements are heteroatoms. This change is now live and the name in question should work.

    BTW The OPSIN server has crashed a couple of times over the last few days since we've moved it to a new virtual machine. I'm still working to get to the bottom of what exactly the issue is although I'm still hopeful I'll figure it out next week. Nonetheless if reliability is important you may want to consider running OPSIN locally or running your own instance of the web service (depending on what your use case is) [even when working normally I tend to bring the public service down for a couple of minutes every few weeks to update it]

  2. Log in to comment