InChI: open-source chemical structure representation algorithm

Isotopologues

Isotopologues

Working Group Chair:  Hunter Moseley

Develop enhanced specifications within the regular InChI standard for representing isotopologues and isotopomers. More specifically, augment the isotopic layer specifications of the regular InChI standard so that specific isotopologues, isotopomers, partial isotopomers, and isotopologue fragments can be represented by a single InChI string and used to identify isotope-informative analytical features.