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IUPAC nomenclature is used for the naming of chemical compounds, based on their chemical composition and their structure. [1] For example, one can deduce that 1-chloropropane has a Chlorine atom on the first carbon in the 3-carbon propane chain.
The names "caffeine" and "3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione" both signify the same chemical compound. The systematic name encodes the structure and composition of the caffeine molecule in some detail, and provides an unambiguous reference to this compound, whereas the name "caffeine" simply names it.
The generator is purely mathematical and does not involve the interpretation of any spectral data. Spectral data are used for structure scoring and substructure information. Based on the molecular formula, the generator forms bonds between pairs of atoms, and all the extensions are checked against the given constraints.
The main purpose of chemical nomenclature is to disambiguate the spoken or written names of chemical compounds: each name should refer to one compound. Secondarily, each compound should have only one name, although in some cases some alternative names are accepted. Preferably, the name should also represent the structure or chemistry of a compound.
Chemical nomenclature, replete as it is with compounds with very complex names, is a repository for some names that may be considered unusual. A browse through the Physical Constants of Organic Compounds in the CRC Handbook of Chemistry and Physics (a fundamental resource) will reveal not just the whimsical work of chemists, but the sometimes peculiar compound names that occur as the ...
Although most compounds are referred to by their IUPAC systematic names (following IUPAC nomenclature), traditional names have also been kept where they are in wide use or of significant historical interests.
Skeletal structural formula of Vitamin B 12.Many organic molecules are too complicated to be specified by a molecular formula.. The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are possibly arranged in the real three-dimensional space.
Chemical formula Synonyms CAS number CAgO carbonylsilver: CCl 2 F 2: dichlorodifluoromethane freon-12: 75-71-8 CCl 4: carbon tetrachloride tetrachloromethane: 56-23-5 C(CN) 4: tetracyanomethane: 24331-09-7 CFCl 3: trichlorofluoromethane freon-11: 75-69-4 CFCl 2 CF 2 Cl: chlorotrifluoromethane freon-13: 75-72-9 CHCl 3: chloroform ...