Hello all,
The current SMILES writer does not output cis/trans bond symbols for double
bonds in rings of size 12 or less. In the course of other work, I've come
across example of cis/trans bonds in rings of size 9 for example:
https://www.ebi.ac.uk/chembldb/compound/inspect/CHEMBL520004 versus
https://www.ebi.ac.uk/chembldb/compound/inspect/CHEMBL524149.
Here's a size 10 trans example from wikipedia (I've seen these structures
in papers too): http://en.wikipedia.org/wiki/Germacranolide
Any objections to dropping 12 down to 9?
- Noel
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