The IUPAC International Chemical Identifier

 

The IUPAC International Chemical Identifier (InChI) provides unique labels for well-defined chemical substances. These labels are generated by converting an input chemical structure, in the form of a 'connection table', to a unique and predictable series of ASCII characters. The protocol offers a means of representing chemical compounds in a manner that does not depend on how they were drawn. Note that Identifiers are re- expressions of chemical structures, they are not registry or registration numbers and do not require access to a database. The facility was developed primarily as a means of 'naming' a compound in digital media although the Identifier is expressed as simple text that may be manually interpreted.

 

As of July 2024, with the release of v1.07, development of the InChI has moved to GitHub. The latest version can be found at https://github.com/IUPAC-InChI/InChI/releases with additional applications linked from https://github.com/IUPAC-InChI. For additional background on InChI and its support, please see the InChI Trust website.

 

 

Please do not log issues and bugs here - these are now on GitHub. However this discussion list (InChI-discuss) is still live for comments, questions and offers of help:

 

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