Stereo specification

Basic stereo specification

Enhanced stereo specification

Works only in MDL molecule formats: mol, rgf, sdf, rxn etc...

Enhanced stereochemical representation introduces three types of identifiers that can be attached to a stereogenic center. A stereochemical group label is composed from an identifier and a group number. Each stereogenic center marked with wedge bonds belongs to one (and only one) stereochemical group. Grouping allows us to specify relative relationships among stereogenic centers.

Stereochemical group types: