another failure to match 1,4-disubstituted cyclohexanes

Please see the screen shot. Depending on how the stereochemistry of the two stereocenters in the query is shown, cis-1,4-dibromocyclohexane may or may not match to itself. Apparently, JChem Web Services 16.1.18 recognizes these structures as both having (s,s) stereochemistry, but JChem 16.4.25 does not recognize them as identical.

Hi Bob,

Thank you for the quick report with the new JChem version. It seems the problem is around the ignoreCumuleneOrRingCisTransStereo search option. We will check how it can be corrected. Nevertheless, I found the same missing hit with older versions (like 16.1.18) as well.

Best regards,

Krisztina

Any progress on fixing this bug?

Hi Bob,

Sorry, but we could not manage to fix the bug yet.  We'll inform you when we have any progress.

Best regards,

Krisztina

Hi Bob,

Please be informed that the latest released JChem, version number 16.8.29, contains the bugfix relating the matching problem of 1,4-disubstituted cyclohexanes.

Best regards,

Krisztina

Thanks, that's a big relief.