Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

InChI, the IUPAC International Chemical Identifier

Published

Author(s)

Stephen R. Heller, Alan McNaught, Igor Pletnev, Stephen Stein, Dmitrii Tchekhovskoi

Abstract

This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.
Citation
Journal of Cheminformatics
Volume
7
Issue
23

Citation

Heller, S. , McNaught, A. , Pletnev, I. , Stein, S. and Tchekhovskoi, D. (2015), InChI, the IUPAC International Chemical Identifier, Journal of Cheminformatics, [online], https://doi.org/10.1186/s13321-015-0068-4 (Accessed July 14, 2024)

Issues

If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.

Created April 14, 2015, Updated October 12, 2021