The RInChI Project

The aim of the RInChI project, in the same vein as InChI, is to create a unique data string to describe a reaction. Reaction InChIs, or RInChIs, are such data strings. They use the InChI software and from an rxn input file a RInChI can be created. The tools for doing this are below, and some helpful information is given in the help pages.

RInChI=1.00.1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+!C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H<>C6H12O/c1-4-6(3)5(2)7-6/h5H,4H2,1-3H3/t5-,6-/m0/s1/d+

Example of a RInChI v1.00