Chemicals naming rules

Splitting words with common separators such as spaces and punctuation marks with spaces according to natural language and chemical name rules... 

The nomenclature and numbering used above are recommended by lUPAC (1998PAC143), and they can be further applied to the other cyclic systems with one or more heteroatoms on the heteropine ring using the order of preference rules. Thus, fusion of pyrrole (54), furan (71) or thiophene (78) with azepine (43), oxepine (67) or thiepine (78) results in chemical names in which the parent heterocycle has the lowest preference number and is cited last in the name (preference numbers from Appendix II (1998PAC143) are in brackets). Explanation of the fusion descriptors can be found in the lUPAC recommendations (1998PAC143) and were exemplified in CHEC-I (1984CHEC-1(1)7). 

In reality, you aren t given nice subheadings telling you what type of compound a chemical is so that you know which set of naming rules to use. You need to figure it out. Here s a series of questions to help you write the names of all the wonderful types of chemicals in the previous sections ... 

Reverse your naming rules to deduce the chemical formula of each compound. 

CHEMICAL NAME. Many compounds have generic as well as chemical names. Systematic names encode the composition and structure of compounds and are based on a detailed set of rules established by the IUPAC. Most entries give the IUPAC name, but in some instance a more standard chemical name used by the chemical community is given. 

Naming rules depend on whether the chemical is an ionic compound or a molecular compound containing only covalent bonds. There are special rules for naming acids. The rules below describe a group of traditional "semi-systematic" names accepted by IUPAC. 

The VG, in cooperation with the Secretariat, established rules for naming chemicals in the OCAD. These rules in general are based on the names given in the CWC (Annex on Chemicals). In cases where the guidance from the CWC is insufficient to provide an unambiguous chemical name, additional rules have been developed to assist (Annex 1). These rules have an explicit relationship to the structure of the compound, which enables a user to identify... 

Laboratories submitting new data are requested to follow these naming rules. These rules are published by the Secretariat to all the States Parties laboratories that submit new analytical data. When the chemical names of new submitted data do not conform... 

IUPAC the acronym for International Union of Pure and Applied Chemistry, an organization that specifies rules for chemical names and symbols (3.4)... 

One of the primary issues with systematic nomenclature is that some names can appear systematic in nature but, in fact, are not. They can have the expected structure of a chemical name generated according to a rules-based system but are false systematic names, at least in their specific context. When the N2S conversion algorithms... 

The formatting of chemical names is generally not important. Whereas capitalization or italicization are essentially senseless, both sub- and superscripts are helpful in name analysis, and in most cases the absence of formatting can be resolved simply by grammatical implementation. For example, Name=Struct successfully converts polycyclic names like Tricyclo[3.3.1.11,5]decane that according to nomenclature rules must be written as Tricyclo[3.3.1.11>5]decane. A good N2S engine therefore... 

A significant fraction, however, of the documents in the scientific literature dealing with chemical entities and their biological effects are not composed of trivial names for the compounds under investigation. For the automated analysis of the chemical named entities in these publications, we need to use other methods. In principle, it should be possible to use rule-based approaches to identify IUPAC names (and other forms of IUPAC-like expressions), in particular, because the IUPAC name construction itself is based on rules. However, IUPAC names are neither unambiguous, nor can they easily be checked automatically for compliance with IUPAC nomenclature rules. In fact, most IUPAC-like expressions in patent literature seem to be not compliant with the IUPAC nomenclature, and cannot easily be converted into structures.40... 

Recognition of chemical nomenclature names (rule-based approach for the recognition of chemical fragment strings)... 

Chemical Names. The nomenclature generally follows die definitive rules issued by lUPAC, 1979. 

These CAS rules, which had been in use since the beginning of the 9th Collective Index period (1972), have now been thoroughly revised to give a simplified and more intuitive description. The need for a single expression to describe the total stereochemistry of a molecule has been eliminated. Stereochemical terms are now placed within the parts of a chemical name to which the stereochemical information applies. The following diagram shows the now superseded 9C1 descriptors alongside the revised equivalents, which are closer to now current CAS practice. 

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