Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Stereodepiction Brecher would not approve of #1038

Open
egonw opened this issue Feb 5, 2024 · 2 comments
Open

Stereodepiction Brecher would not approve of #1038

egonw opened this issue Feb 5, 2024 · 2 comments
Assignees

Comments

@egonw
Copy link
Member

egonw commented Feb 5, 2024

@johnmay, is there anything that you think that can be done on the choice of bonds to use the wedge for on the bridgehead carbons for these two SMILES:

Cl[C@@]12C(=C([C@@]([C@@H]3COS(OC[C@@H]31)=O)(C2(Cl)Cl)Cl)Cl)Cl
Cl[C@]12C(=C([C@]([C@@H]3COS(OC[C@@H]31)=O)(C2(Cl)Cl)Cl)Cl)Cl

image

According to Brecher (below, right), this wedges on the two bonds to the two chlorines should be on the bonds towards the middle bridging CCl2 group, I think (whereas those on the bonds to the hydrogens in the above seem fine, per below left):

image

@johnmay
Copy link
Member

johnmay commented Feb 6, 2024

image

But I agree it looks nicer, would be a bit of extra working when choosing which bond to wedge but is possible.

@egonw
Copy link
Member Author

egonw commented Feb 6, 2024

Yeah, if too complicated, then ignore it. Certainly not anything urgent.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants