Chemical Abstracts Service nomenclature

DIALOG has split the Chemical Abstracts Service nomenclature file into two different files ... 

The systematic lUPAC nomenclature of compounds tries to characterize compounds by a unique name. The names are quite often not as compact as the trivial names, which are short and simple to memorize. In fact, the lUPAC name can be quite long and cumbersome. This is one reason why trivial names are still heavily used today. The basic aim of the lUPAC nomenclature is to describe particular parts of the structure (fi agments) in a systematic manner, with special expressions from a vocabulary of terms. Therefore, the systematic nomenclature can be, and is, used in database systems such as the Chemical Abstracts Service (see Section 5.4) as index for chemical structures. However, this notation does not directly allow the extraction of additional information about the molecule, such as bond orders or molecular weight. 

The lUPAC rules are not the only nomenclature system in use today Chemical Abstracts Service sur veys all the worlds leading scientific journals that publish papers relating to chemistry and publishes brief abstracts of those papers The publication Chemical Abstracts and its indexes are absolutely es sential to the practice of chemistry For many years Chemical Abstracts nomenclature was very similar to lUPAC nomenclature but the tremendous explosion of chemical knowledge has required Chemical Abstracts to modify Its nomenclature so that its indexes are better adapted to computerized searching This means that whenever feasible a compound has a sin gle Chemical Abstracts name Unfortunately this Chemical Abstracts name may be different from any of the several lUPAC names In general it is easier to make the mental connection between a chemical structure and its lUPAC name than its Chemical Abstracts name... 

Quite naturally there is a certain amount of arbitrariness in this system, although the lUPAC nomenclature is followed. The preferred Chemical Abstracts index names for chemical substances have been, with very few exceptions, continued unchanged (since 1972) as set forth in the Ninth Collective Index Guide and in a journal article. Any revisions appear in the updated Index Guide new editions appear at 18-month intervals. Appendix VI is of particular interest to chemists. Reprints of the Appendix may be purchased from Chemical Abstracts Service, Marketing Division, P.O. Box 3012, Columbus, Ohio 43210. 

NOTE ON CHEMICAL ABSTRACTS SERVICE REGISTRY NUMBERS AND NOMENCLATURE... 

Naming and Indexing of Chemical Substances for Chemical Abstracts, Chemical Abstracts Service, American Chemical Society, Washington, D.C., 1992. Nomenclature of Organic Chemist, lUPAC, Pergamon Press, New York, 1979. 

The Chemical Abstracts Services Registry Number and lUPAC nomenclature for PVP are [9003-39-8] and l-ethenyl-2-pyrrohdinone homopolymer, respectively however, it is known by a variety of approved names by foreign and domestic regulatory authorities. For example ... 

The nomenclature of boron hydride derivatives has been somewhat confusing and many inconsistencies exist in the Hterature. The stmctures of some reported boron hydride clusters are so compHcated that only a stmctural drawing or graph, often accompanied by explanatory text, is used to describe them. Traditional nomenclature systems often can be used to describe compounds unambiguously, but the resulting descriptions may be so long and unwieldy that they are of Htde use. The lUPAC (7) and the Chemical Abstract Service (8) have made recommendations, and nomenclature methods have now been developed that can adequately handle nearly all clusters compounds however, these methods have yet to be widely adopted. Eor the most part, nomenclature used in the original Hterature is retained herein. 

J. B. Casey, W. J. Evans, W. H. PoweU, and T. E. Sloan, "A Stmctural Definitive Descriptor and Numbering System for Cluster Compound Nomenclature," Chemical Abstract Service, presented at the 198th National Meeting of the American Chemical Society, Miami Beach, FI., Sept. 1989. 

In this book we use the Nomenclature of Organic Chemistry of the International Union of Pure and Applied Chemistry, 1979 Edition ( Blue book , IUPAC, 1979), the Revised Nomenclature for Radicals, Ions, Radical Ions, and Related Species (IUPAC, 1993), and additional rules applied by the Chemical Abstracts Service for the 1987-1991 Index Guide Chemical Abstracts, 1992). 

The index consists of two parts. Part I contains entries referring to the conventional names of compounds as they appear in the preparations of this volume followed by the systematic names in brackets, if the nomenclature differs The bracketed names conform to the systematic nomenclature adopted by the Chemical Abstracts Service starting with Chemical Abstracts Volume 76 (1972) Part II of the index contains entries of the subjects of this volume with compound names in a reversed order of Part I... 

Tervalent organophosphorus compounds containing one single P-N bond with the valency of each atom saturated by protons or carbons (but no other heteroatoms) have been known since their discovery by MichaeUs more than one century ago [ 1 ] and named indistinctly as aminophosphanes, phosphanamines, phosphazanes, or phosphinous amides. This last chemical nomenclature is the one used by the Chemical Abstracts Service (CAS) for indexing these compounds and is also the one that best delimits the scope of this review those species derived from the parent H2P-NH2 (phosphinous amide in CAS nomenclature) by partial or total substitution of protons by hydrocarbon radicals (Table 1). 

Editorial work was assisted by evaluations and comments on submitted manuscripts by members of Inorganic Syntheses. Foremost and unfailing in this group were J. C. Bailar, Jr., T. Moeller, D. F. Shriver, R. J. Angelici, and the late W. C. Fernelius. Advice on nomenclature was routinely provided by T. E. Sloan and W. H. Powell of Chemical Abstracts Service. 

This chapter presents a concise overview of the present conventions in coordination nomenclature. Generally, the IUPAC rules and recommendations have been followed. For the cases where the IUPAC practices seemed to be out of date or incomplete, the author has drawn upon the vast expertise in nomenclature available at Chemical Abstracts Service. Sections 3.2.3 and 3.4 deal with ligand locant notation and the numbering of polynuclear complexes may be considered provisional. These concepts are still under active consideration in the various national and international nomenclature commissions and committees. The presentation is relatively brief, but it is hoped that the nomenclature principles are evident, especially when examples presented are closely... 

Fisanick, W., L. D. Mitchell, J. A. Scott, and G. G. Vander Stouw, "Substructure Searching of Computer-Readable Chemical Abstracts Service Ninth Collective Index Nomenclature Files," Journal of Chemical Information and Computer Sciences, lj>(2), 73-84 (1975). 

The systematic nomenclature for the cycloproparenes is confused because the fusion rule (IUPAC Rule A 21.3) requires that at least two rings of five or more members be present before the prefix cyclopropa may be used. Thus while l//-cyclopropa[a]- and -[/ naphthalene are correct for 10 and 11, respectively, 1 //-cyclopropabenzene is incorrect for 1. The Chemical Abstracts service and IUPAC are unanimous in naming 1 as bicyclo-[4.1. Ojhepta-1,3,5-triene la. Thus if the parent member is strictly named, not only does it differ from that of its higher homologues, but also it could be taken to imply a bond localized structure. Throughout this chapter parent 1 and its derivatives 5-9 are referred to as cyclopropabenzenes and numbered as shown for structure 1. 

The principal advances in the systematization of organic nomenclature have come from the International Union of Pure and Applied Chemistry (IUPAC) Commission on the Nomenclature of Organic Chemistry, and from the Chemical Abstracts Service. The IUPAC Definitive Rules for Hydrocarbons and Heterocyclic Systems (1957)4 and for Characteristic Groups (1965)5 have been widely accepted by the chemical community, and, in their latest revised form,6 constitute the standard reference work. These rules are closely related to those developed in parallel by Chemical Abstracts for indexing purposes, and it is fortunate that, as a result of close cooperation between the two bodies, there are few areas of disagreement. 

The use of proper chemical nomenclature is essential for effective scientific communication. More than one million new substances are reported each year, each of which must be identified clearly, unambiguously, and completely in the primary literature. Chemical compounds are named according to the rules established by the International Union of Pure and Applied Chemistry (IUPAC), the International Union of Biochemistry and Molecular Biology (IUBMB) [formerly the International Union of Biochemistry (IUB)], the Chemical Abstracts Service (CAS), the Committee on Nomenclature, Terminology, and Symbols of the American Chemical Society, and other authorities as appropriate. For more information on naming chemical compounds, refer to the bibliography in Chapter 18. This chapter gives the editorial conventions and style points for chemical compound names. 

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