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ready IUPAC International Chemical Identifier

Abbreviation: InChI

General Information
Originally developed by the International Union of Pure and Applied Chemistry (IUPAC), the IUPAC International Chemical Identifier (InChI) is a machine-readable string generated from a chemical structure. InChIs are unique to the compound they describe and can encode absolute stereochemistry making chemicals and chemistry machine-readable and discoverable. A simple analogy is that InChI is the bar-code for chemistry and chemical structures. A hashed fixed-length version of the InChI, the InChIKey, is also widely used. The InChI format and algorithm are non-proprietary and the software is open source, with ongoing development done by the community. A number of IUPAC working groups are working on extensions and new applications of the standard.

How to cite this record InChI; IUPAC International Chemical Identifier; DOI:; Last edited: Jan. 29, 2021, 10:26 a.m.; Last accessed: Jan 27 2022 7:55 a.m.

This record is maintained by smoretti  ORCID  and kiddr  ORCID

Record added: April 18, 2016, 11:28 a.m.
Record updated: Jan. 29, 2021, 7:58 a.m. by smoretti.

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Applies to: Database software


InChI, the IUPAC International Chemical Identifier

Heller S,McNaught A, Pletnev I, Stein S, Tchekhovskoi D
J Cheminform 2015

View Paper (PubMed) View Publication

Many InChIs and quite some feat

Warr WA
J Comput Aided Mol Des 2015

View Paper (PubMed) View Publication

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