A key strength of the Polytope Formalism, for both stereoisomerism and constitutional isomerism, is that all possible configurations are consideredthus providing information about interconversion processes. In contrast with previous approaches, in the Polytope Formalism of constitutional isomerism, all sensible subvalent and hypervalent atom-connectivity This journal is © The Royal Society of Chemistry 20xx configurations are explicitly included to account for those configurations representing reaction intermediates.