Working with IUPAC names using ChemAxon tools

poster · 13 years ago
by Miklós Vargyas, Daniel Bonniot de Ruisselet, Rita Veréb (ChemAxon)

Chemical names constitute a widely used and convenient way to characterize compounds. Historically, useful compounds have been assigned common names, like toluene. Systematic ways to assign names to all compounds have later been developed and standardized by the International Union of Pure and Applied Chemistry (IUPAC). Such systematic names reveal the presence of characteristic groups, like carboxylic acids and classes of compounds, like esters. Currently, IUPAC is designing precise rules to assign a unique preferred name to each compound, which can be useful, for instance, in the context of patents.

ChemAxon provides tools to generate names from structures, and to generate structures from names. In both cases, we strive to support both traditional and preferred IUPAC names.

236th ACS National Meeting & Exposition · August 17-21, 2008