219th ACS Spring Conference, San Francisco, March 2000

Systematic naming technology

Carlton G. Squires

Several strategies have been developed in recent years to streamline the process of systematic chemical name generation in an automated manner. Though a few techniques have shown success in certain areas of chemistry, in many cases, prior attempts have led to an overall level of accuracy that has been less than stellar. Through algorithms developed and refined over the past 5 years, a procedure for systematic name generation with a focus on accuracy will be demonstrated. These algorithms have been successfully applied to generation of systematic names according to IUPAC and CAS Index recommendations for almost any organic structure, and selected classes of biochemical, organometallic and inorganic structures. The growth of electronic media and electronic searching makes recent advances in robust and accurate name-to-structure capability extremely timely. These name-to-structure nomenclature capabilities will also be demonstrated. When implemented together, these algorithms provide a method for unambiguous generation and communication of systematic chemical names and their structures.

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