Daniel Lowe
Daniel Lowe
**Original comment by Daniel Lowe (Bitbucket: [dan2097](https://bitbucket.org/dan2097), GitHub: [dan2097](https://github.com/dan2097)).** ---------------------------------------- Sure I can add them. The problem with this sort of inorganic nomenclature in general is that only the composition...
**Original comment by Jason Sonnenberg (Bitbucket: [jsonnenb](https://bitbucket.org/jsonnenb), GitHub: [jsonnenb](https://github.com/jsonnenb)).** ---------------------------------------- Thanks! Inorganic nomenclature is definitely an exciting frontier for name to structure coding. :-)
I suspect the answer is no. Given an IUPAC name, OPSIN can output the label(s) associated with each atom, but there are some caveats with this. The labels are dependent...
The CDK's depiction functionality has the ability to render a labelled molecule, it can be tried by changing "No Annotation" on https://www.simolecule.com/cdkdepict/depict.html For example, using the SMILES labelling that is...
**Original comment by Daniel Lowe (Bitbucket: [dan2097](https://bitbucket.org/dan2097), GitHub: [dan2097](https://github.com/dan2097)).** ---------------------------------------- The document is somewhat superceded by the 2013 IUPAC Nomenclature of Organic Chemistry recommendations, but the 2013 recommendations doesn't really...
OPSIN does internally have a concept of an atom having "maximum number of non-cumulative double bonds" which does roughly correspond to aromaticity in SMILES. but there are differences. In OPSIN's...
The first case is definitely in scope, as a chlor(o)oxime appears to be a commonly used term to describe compounds containing RC(Cl)=NOH The other 3 are more tricky as they...
**Original comment by Daniel Lowe (Bitbucket: [dan2097](https://bitbucket.org/dan2097), GitHub: [dan2097](https://github.com/dan2097)).** ---------------------------------------- Thanks for the bug report, this issue arises from not all ways of laying out the fused-ring system on an...
**Original comment by Daniel Lowe (Bitbucket: [dan2097](https://bitbucket.org/dan2097), GitHub: [dan2097](https://github.com/dan2097)).** ---------------------------------------- The particular issue raised here was fixed back on 2017-06-06, but this issue was not closed as more obscure ring...
**Original comment by Daniel Lowe (Bitbucket: [dan2097](https://bitbucket.org/dan2097), GitHub: [dan2097](https://github.com/dan2097)).** ---------------------------------------- It should be possible to give methoxide (and other analogous terms e.g. ethoxide) similar behaviour to "oxide" i.e. covalently bound...