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IUPAC InChI format

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

The export makes an InChi with AuxInfo by default. The import requires an InChi string (AuxInfo is optional). Without AuxInfo, the generated molecule does not include coordinates.

At the moment Linux, Windows and Mac platforms are supported.

Since Version 5.5 the InChI 1.03 version is integrated, jni-inchi sourceforge project is used to call the native C code. Since Version 5.2.5 InChIKey export format is also included.


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CodenameCode: inchi, inchikey


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titleSee also

InChi and InChiKey export options 



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