User 677b9c22ff
19-08-2008 01:07:06
Hi,
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.
Tobias
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.
Tobias