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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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Mercury(I) salts return empirical rather than molecular formulas #146

Open jsonnenb opened 3 years ago

jsonnenb commented 3 years ago

Mercury(I) chloride is Hg2Cl2 but opsin returns HgCl. This is the case for mercury(I) cyanide, mercury(I) iodide, mercury(I) fluoride, mercury(I) thiocyanate, etc.

dan2097 commented 3 years ago

Thanks for pointing this out, I'm just thinking about the best way of implementing this. I can find one counterexample, mercury(I) hydride, which more typically is HgH, but indeed the vast the majority of mercury(I) compounds do seem to contain dimeric mercury. Are you aware of any other counterexamples?

jsonnenb commented 3 years ago

I am not aware of any other counter examples but will continue looking and report back if I find any.