Rose oxide by any other name


… smells just as sweet, but that's beside the point.

Imagine all your friends were called Harry and Harriet, and the confusion that would ensue.
Yet still, many of us often deal with compound lists where half of the structures are just called "molecule". That is probably okay, if there are only a couple of them and one can see the structures alongside, but quickly the lists get too long and the differences too small to rely on one's eyes alone …

It is good practice to check compound lists for duplicate structures and ensure that different molecules have different names.
This helps staying on top of things, together with the Sort and Filter functions of the Data Table view.
In the DS Client, it is easy to add a column with the SMILES representations of all molecules to your table, where you can then locate twins and clones to merge or remove them.

In the end, it does not matter whether you call it rose oxide or Harry, tetrahydro-4-methyl-2-(2-methylpropenyl)-2H-pyran, 1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3 or just molecule27, but a little time spent in diligent house-keeping may save you from bigger grief some time later. Although Discovery Studio attempts to handle such common mistakes itself in a suitable way, it is best to stick to the old rule: one compound — one name, another compound — a different name.

This tip has been inspired by minor defects DSC-29696 and DSC-30765, two of over sixty fixed in the recent 2020 release of BIOVIA Discovery Studio.