IUPAC InChI, InChIKey, RInChI and RInChIKey

IUPAC InChI and RInChI format

Code: inchi, inchikey

ChemAxon applications are able to import and export IUPAC InChI and RInChI files, and export IUPAC InChIKey and RInChIKey files. This function does not work in the applets (except signed ones).

The export makes an InChi with AuxInfo or RInChI with RAuxInfo by default. The import requires an InChi or RInChI string (AuxInfo and RAuxInfo are optional).

At the moment Linux and Windows platforms are supported.

Since Version 19.11 the InChI 1.05 version and RInChI 1.00 are integrated. Since Version 19.11 InChIKey export and RInChIKey export are also included.

Known issues

In the case of RInChI the export of reaction agents to RInChI and RInChIKey are not supported yet.

Native InChI and RInChI libraries

InChI and RInChI native libraries are Copyright 2019, InChI Trust. InChI and RInChI native libraries are free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. (See GPL, LGPL license.)