The computer derivation of stereochemical relationships from the chirality of ring atoms

Abstract

Most stereochemical information not involving torsional isomerism ¹ is tersely described by stating the chirality of each chiral centre. Programs that deal with stereochemical problems have to derive the concepts of cis, trans, axial, equatorial, alpha, beta, exo, endo, etc., from knowledge of the chirality. A fast algorithm has been devised which finds the cis- and trans-relationships of substituents in the same ring, knowing the chirality of the relevat two ring atoms. The other steric relationships can then be simply derived from the cis–trans relationships.