Stereoisomer generation problem

User 677b9c22ff

19-08-2008 01:07:06


using the stereo plugin i wanted to create all possible (double bond and tetrahdral isomers) for 2-Hexenal SMILES: O=CC=CCCC

However only if I fully remove all stereo information (which actually transforms the molecule to trans/E configurations , I get the correct

info, if the wiggly bond is set it does not work.

So in the first case it does not generate any stereosiomer at all,

or at least it says both wiggly (which is wrong).

Only if I use dbl bond isomers it creates the correct ones.

Or if I remove all stereo (E) and create both.

See the graphics.


ChemAxon e08c317633

25-08-2008 14:17:41

Hi Tobias,

Thank you for reporting, this is indeed a bug. We will fix it.