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After some more search the solution was to call |
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Hi,
This is related to my previous investigations in #6881.
I think I managed to get everything right except Cyclododecene.
I would like (by any mean, stereoenumeration, findchiralcenters, ...) to be able to say that
C1CCCCCC=CCCCC1
(https://pubchem.ncbi.nlm.nih.gov/compound/15164) stereo is unspecified, whileC1CCCCC/C=C\CCCC1
(https://pubchem.ncbi.nlm.nih.gov/compound/637538) andC1CCCCC/C=C/CCCC1
(https://pubchem.ncbi.nlm.nih.gov/compound/5365627) are.I tried to remove sanitization, add Hs, used the bond types, but could not achieve it... any hints?
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