User 677b9c22ff
04-11-2008 20:19:44
Hi,
I have a unique list of 528 isomers generated from
OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(O)C2O)C(O)C1O
I used cxcalc name to generate the names for the 528 unique smiles
(not 532). After that I used Textpad to delete duplicates and the resulting number was only 406 stereoisomers.
So for some isomers the name must be wrong.
See attached files
Tobias
I have a unique list of 528 isomers generated from
OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(O)C2O)C(O)C1O
I used cxcalc name to generate the names for the 528 unique smiles
(not 532). After that I used Textpad to delete duplicates and the resulting number was only 406 stereoisomers.
So for some isomers the name must be wrong.
See attached files
Tobias