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Elucidating for Isomers

September 22, 2008
by Arvin Moser, Team Manager, Application Scientists, ACD/Labs

The underlying essence of a structure elucidation process is to structurally distinguish an unknown from a set of possible isomers. This is evident by the number of possible isomers for a given molecular formula.

The chart below divides isomers into two groups: Structural/Constitutional/Regio and Stereo/Spatial isomers. Wikipedia links are included for further reading into the different isomer classifications.

IsomersChart_1_Sept222008

Structural/Constitutional/Regio

Skeletal/Chain

Position

Tautomer

Isotopomers

Functional Groups

Stereo/Spatial

Diastereomers

Enantiomers

Cis/Trans

E/Z

Confomers

Rotamers

D/L

(+)/(-)

R/S

Epimers

Anomers

α/β

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