COMPUTER TRANSLATION OF IUPAC SYSTEMATIC ORGANIC-CHEMICAL NOMENCLATURE .4. CONCISE CONNECTION TABLES TO STRUCTURE DIAGRAMS

The concise connection table (CCT) is the structure representation into which IUPAC systematic organic chemical nomenclature is translated by the methods described in previous papers in this series. Here, first, some enhancements to the original specification of the CCT are presented, resulting from experience of its use and extension of the functional groups and classes of names handled by the nomenclature translator. Then, software for the expansion of the CCT into an atom table is described which enables the structure to be displayed by character graphics. The conversion of the CCT into the Standard Molecular Data (SMD) format is reported, and this has enabled the molecular structure corresponding to input names to be displayed by a variety of graphics packages. The problems of linking the nomenclature translator and commercially available molecular graphics and database packages into one multiprocess software system under MSDOS on IBM PCs and compatibles are discussed. © 1990, American Chemical Society. All rights reserved.