| Canonical codes do not distinguish stereoisomers [message #2431] |
Fri, 29 August 2025 15:32 |
wsmts
Messages: 8
Registered: February 2023
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Junior Member |
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Hi,
I noticed that for some molecules the Canonical codes don't distinguish stereoisomers even though the box was selected in the calculation dialog. (I had also deselected distinguish tautomers).
I was expecting the canonical codes to follow the pattern of the InchiKeys but they ignored the stereochemistry for these examples. (dwar attached)
v06.05.01 (Windows 11)
Best,
--
Wim
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