title: InChI, the IUPAC International Chemical Identifier.
abstract: This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.
authors.affiliation: Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8362 USA.
authors.forename: Stephen R
authors.initials: SR
authors.lastname: Heller
authors.affiliation: InChI Trust, Cambridge, UK.
authors.forename: Alan
authors.initials: A
authors.lastname: McNaught
authors.affiliation: Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow, Russia.
authors.forename: Igor
authors.initials: I
authors.lastname: Pletnev
authors.affiliation: Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8362 USA.
authors.forename: Stephen
authors.initials: S
authors.lastname: Stein
authors.affiliation: Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8362 USA.
authors.forename: Dmitrii
authors.initials: D
authors.lastname: Tchekhovskoi
keywords: Chemical identifier; Chemical structure linear notation; IUPAC standard; InChI; InChIKey