N-Hydroxysulfosuccinimide sodium salt

Issue #71 resolved
Alex Clark
created an issue

Gives [Na].ON1C(C(CC1=O)S(=O)(=O)O)=O, i.e. neutral sodium.

Comments (3)

  1. Daniel Lowe repo owner

    When I initially looked at the title of this issue, I assumed this was one of those cases where imide is being misused as an anion [cf. https://en.wikipedia.org/wiki/Lithium_bis(trifluoromethanesulfonyl)imide]

    This issue is a bit of a pain to fix as the chemical name itself doesn't indicate that a group has been deprotonated (a name like N-Hydroxysulfonatosuccinimide sodium salt would make this explicit)

    2-Mercaptopyridine N-oxide sodium salt from:
    https://www.sigmaaldrich.com/catalog/product/aldrich/329061
    is another similar example of this issue where mercapto is SH, but the structure shown is [S-]

  2. Alex Clark reporter

    What can I say... this whole name-to-structure thing will drive you insane, if it hasn't already :-/ FYI, I'm generally trying to report representative examples of failure cases that seem less challenging than some of the ones that OPSIN gets right. I'm seeing it correctly handle some fairly obnoxious content (!)

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