What is the scope of the InChI?
Taken from the InChI Technical Manual. “It was agreed at IUPAC meetings prior to the start of this project that the first version of the InChI should cover well-defined, covalently-bonded organic molecules. It was also agreed to include substances with mobile hydrogen atoms (tautomers, for instance). In the course of this project, it was found that straightforward extension organometallic compounds could be represented. Methods were found to also include variable protonation. Also, the present version only considers traditional organic stereochemistry (double bond – sp2 and tetrahedral – sp3) and the most common forms of H-migration (tautomerism). However, the layered structure of the InChI allows future refinements with little or no change to the layers currently used.” The current version of InChI can also represent salts and structures with isotopic enrichment.
