International Union of Pure and Applied Chemistry IUPAC nomenclature

International Union of Pure and Applied Chemistry (IUPAC). Nomenclature of organic chemistry. Section F natural products and related compounds (Recommendations 1976). IUPAC Information Bulletin, Appendices on provisional nomenclature, symbols, terminology, and conventions, No. 53, December 1976. [Also in Eur J Biochem 86 1-8 (1978)]... 

International Union of Pure and Applied Chemistry (IUPAC), Nomenclature of Inorganic Chemistry, 2nd ed., Butterworths, London, 1970. 

Chemical compound entity extraction is a different type of entity extraction. One cannot refer to a complete dictionary or thesaurus of chemical compound names, as there is practically an infinite number of compound names. Systematic names, such as the International Union of Pure and Applied Chemistry (IUPAC) nomenclature system [54], are created from a set of rules that determine the name of a chemical compound based on the chemical structure. As an example we show aspirin, which has the common chemical name acetyl salicylic acid and the IUPAC name 2-acetyloxybenzoic acid. The common names, including aspirin, can be found using a thesaurus-based approach with low levels of ambiguity. The IUPAC name is a systematically determined name that must be tagged in the text using a heuristics-based approach (rules based). In many cases, one will have only the IUPAC name, not a known common name, for a compound. 

The International Union of Pure and Applied Chemistry (IUPAC) Nomenclature Documents Home Page on the World Wide Web can be found at http // www.chem.qmw.ac.uk/iupac/. This site contains information on IUPAC itself, the names and publishers of references on chemical nomenclature, and many of the recommendations. 

As the science of organic chemistry slowly grew in the 19th century, so too did the number of known compounds and the need for a systematic method of naming them. The system of nomenclature we ll use in this book is that devised by the International Union of Pure and Applied Chemistry (IUPAC, usually spoken as eye-you-pac). 

The responsibility for enzyme nomenclature is supported by the Nomenclature Committee of the International Union of Biochemistry (IUB now the International Union of Biochemistry and Molecular Biology, IUBMB) and the International Union of Pure and Applied Chemistry (IUPAC). These committees collect information about changes and additions to enzyme nomenclature13"15. 

There are numerous publications where the standard enthalpy of reaction 5.1 is calledbond dissociation energy and abbreviated by BDE or by >(A-B). However, this designation (as well as the abbreviations) can be misleading, and we favor the nomenclature just indicated. It should also be recalled (see section 2.2) that the International Union of Pure and Applied Chemistry (IUPAC) recommends Do for the dissociation energy at T = 0 (therefore, Do = DUfi = DH ) and De for the hypothetical dissociation energy from the potential minimum [13],... 

The nomenclature (qv) of polyamides is fraught with a variety of systematic, semisystematic, and common naming systems used variously by different sources. In North America the common practice is to call type AB or type AABB polyamides nylon-x or nylon-x,x, respectively, where x refers to the number of carbon atoms between the amide nitrogens. For type AABB polyamides, the number of carbon atoms in the diamine is indicated first, followed by the number of carbon atoms in the diacid. For example, the polyamide formed from 6-aminohexanoic acid [60-32-2] is named nylon-6 [25038-54-4] that formed from 1,6-hexanediamine [124-09-4] or hexamethylenediamine and dodecanedioic acid [693-23-2] is called nylon-6,12 [24936-74-1]. In Europe, the common practice is to use the designation "polyamide," often abbreviated PA, instead of "nylon" in the name. Thus, the two examples above become PA-6 and PA-6,12, respectively. PA is the International Union of Pure and Applied Chemistry (IUPAC) accepted abbreviation for polyamides. 

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. 

International Union of Pure and Applied Chemistry (IUPAC), Organic Chemistry Division, Commission on Nomenclature of Organic Chemistry, J. Rigaudy, S. P. Klesney, Hrsg. Nomenclature of Organic Chemistry, Sections A, B, C, D, E, F and H, 1979 Edition, Pergamon Press, Oxford, 1979... 

In most existing inventories, chemical identities are standardized through the use of CAS numbers, molecular formulas (chemicals with discrete structures), and IUPAC (International Union of Pure and Applied Chemistry) systematic nomenclature. Chemicals of unknown or variable composition, complex reaction products, and biological materials (UVCB), are usually listed alphabetically under subheadings or by definition.14 Some of the countries that have compiled various inventories include Australia, Canada, EU, Japan, Philippines, South Korea, and United States. 

Nomenclature follows the recommendations of the International Union of Pure and Applied Chemistry (IUPAC) (B-79MI43800). For the description of fused heterocycles, two methods may be used, the fusion method (IUPAC Rule B-3) and the replacement nomenclature (IUPAC Rule B-4). In this chapter, the latter is used because it shows more clearly the relationship between the various structures under consideration. 

The International Union of Pure and Applied Chemistry (IUPAC) was formed in 1919 by a group of chemists. The main aim of IUPAC was to establish international standards for masses, measurement, names, and symbols used in the discipline of chemistry. To further that aim, IUPAC developed, and continues to develop, a consistent and thorough system of nomenclature for compounds. 

In the same year, Heller et al.3 reported a new kind of photochromic compound - dicyanomethylene derivatives of fulgide. According to the nomenclature system of the International Union of Pure and Applied Chemistry (IUPAC), they should be named as 5-dicyanomethylene-tetrahydrofuran-2-one derivatives, as shown in formula 8. 

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. 

Rule-based or systematic nomenclature (e.g., International Union of Pure and Applied Chemistry [IUPAC] or CAS nomenclature) is based on a set of linguistic rules that apply to its structure. For example, the IUPAC and CAS names for mandelic acid are 2-phenyl-2-hydroxyacetic acid and benzeneacetic acid, a-hydroxy-, respectively. The number of possible systematic names is practically endless. A small, but not nearly exhaustive, set of other systematic names includes phenylglycolic acid, phe-nylhydroxyacetic acid, ( )-a-hydroxybenzeneacetic acid, ( )-a-hydroxyphenylacetic acid, ( )-2-hydroxy-2-phenylethanoic acid, ( )-Mandelic acid, (RS)-Mandelic acid, DL-Amygdalicacid,DL-Hydroxy(phenyl)aceticacid,DL-mandelicacid,paramandelic acid, a-hydroxy- a-toluic acid, a-hydroxyphenylacetic acid, a-hydroxybenzeneacetic... 

A word about nomenclature. Once upon a time, chemists made a useful distinction between acetals (derived from aldehydes) and ketals (derived from ketones) which has since perished. The International Union of Pure and Applied Chemistry (IUPAC) decided (Rule C-331.1) that the term ketal is redundant and that the term acetal should now apply to all 1,1-to-ethers whether derived from aldehydes or ketones. Nevertheless, in A Guide to IUPAC Nomenclature of Organic Compounds, Recommendations 1993 (R. Panico, W.H. Powel, I-C Richter, Eds. Blackwell Science Oxford, 1993) the IUPAC graciously reinstated the term ketal , by popular demand, as a subclass of the generic term acetals (Rule R-5.6,4),... 

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