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dan2097 / opsin

Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
https://opsin.ch.cam.ac.uk
MIT License
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Potassium Osmate #144

Open paconius opened 3 years ago

paconius commented 3 years ago

Here is another interesting one: potassium osmate: https://en.wikipedia.org/wiki/Potassium_osmate

AFAIK, the IUPAC name for this compound is: Dipotassium tetrahydroxy(dioxido)osmium

OPSIN seems to recognize this name, but produces a strange output containing two potassium radicals.

paconius commented 3 years ago

Ah ha! It looks like OPSIN accepts the following as the name for potassium osmate: dipotassium dioxidodioxoosmium dihydrate

Roundtripping that name through ChemAxon gives this IUPAC name: dipotassium dioxoosmiumbis(olate) dihydrate

At this point I've very confused and don't know how to lean.

dan2097 commented 3 years ago

Thanks, OPSIN's handling of Dipotassium tetrahydroxy(dioxido)osmium is wrong, I'll look into it. Oxido is normally -[O-], although empricially in some names it was used instead of =O (Oxo). Given the presence of a suitable cation, it should definitely be interpreted as -[O-] in this name.

Supporting names like potassium osmate is a bit tricky as while postassium osmate is a definite structure, and has an oxidation state VI, I think "osmate" on its own has some ambiguity and perhaps is more typically in oxidation state IV