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.

    Native library versions:

    Chemaxon version InChI version RInChI version
    - 19.10 1.03 N/A
    19.11 - 21.13 1.05 1.00
    21.14 - 1.06 1.00

    Known issues

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

    There is no official Mac compatible version of the InChI libraries, therefore on Macs the InChI and RInChI IO functionalities are not working. In versions prior 19.11, our InChI integration used a library that contained a semi-official native library for Macs, but that project has been discontinued since 2010. At version 19.11 we made a decision to update InChI native libraries and add RInChI support at the cost of discontinuing InChI IO on Macs.

    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.) See also InChi and InChiKey export options

    References