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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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IUPAC systematic names for the naturally occurring diatomic do not parse #107

Open dan2097 opened 5 years ago

dan2097 commented 5 years ago

Original report by Jason Sonnenberg (Bitbucket: jsonnenb, GitHub: jsonnenb).

For the seven elements (hydrogen, oxygen, nitrogen, fluorine, chlorine, bromine and iodine) that have diatomic allotropes at STP, the IUPAC systematic names (dihydrogen, dioxygen, dinitrogen, difluorine, dichlorine, dibromine and diiodine) do not parse. The IUPAC details can be found in section IR-3.4.3 on page 49 of the Red Book.

Red Book: https://iupac.org/cms/wp-content/uploads/2016/07/Red_Book_2005.pdf

dan2097 commented 5 years ago

Original comment by Daniel Lowe (Bitbucket: dan2097, GitHub: dan2097).

Sure I can add them. The problem with this sort of inorganic nomenclature in general is that only the composition is really being indicated and hence the structure of the compound cannot necessarily be inferred...obviously for the diatomics no such issue exists.

dan2097 commented 5 years ago

Original comment by Jason Sonnenberg (Bitbucket: jsonnenb, GitHub: jsonnenb).

Thanks! Inorganic nomenclature is definitely an exciting frontier for name to structure coding. :-)