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Chemical file format. A chemical file format is a type of data file which is used specifically for depicting molecular data. One of the most widely used is the chemical table file format, which is similar to Structure Data Format (SDF) files. They are text files that represent multiple chemical structure records and associated data fields.
An example is the condensed molecular/chemical formula for ethanol, which is CH 3 −CH 2 −OH or CH 3 CH 2 OH. However, even a condensed chemical formula is necessarily limited in its ability to show complex bonding relationships between atoms, especially atoms that have bonds to four or more different substituents.
Screenshot of the CAS Common Chemistry database with information about caffeine ().. A CAS Registry Number [1] (also referred to as CAS RN [2] or informally CAS Number) is a unique identification number, assigned by the Chemical Abstracts Service (CAS) in the US to every chemical substance described in the open scientific literature, in order to index the substance in the CAS Registry.
Chemical table file. Chemical table file (CT file) is a family of text-based chemical file formats that describe molecules and chemical reactions. One format, for example, lists each atom in a molecule, the x-y-z coordinates of that atom, and the bonds among the atoms.
The periodic table is a tabular arrangement of the chemical elements, organized by their atomic number, electron configuration, and chemical properties. It is a useful tool for understanding the patterns and trends of the elements and their interactions. Learn more about the history, structure, and significance of the periodic table on Wikipedia.
Chemical nomenclature is a set of rules to generate systematic names for chemical compounds. The nomenclature used most frequently worldwide is the one created and developed by the International Union of Pure and Applied Chemistry (IUPAC). IUPAC Nomenclature ensures that each compound (and its various isomers) have only one formally accepted ...
This is a list of common chemical compounds with chemical formulae and CAS numbers, indexed by formula. This complements alternative listing at list of inorganic compounds. There is no complete list of chemical compounds since by nature the list would be infinite.
The Simplified Molecular Input Line Entry System ( SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.