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These generators are the core of CASE systems. In a generator, the molecular formula is the basic input. If fragments are obtained from the experimental data, they can also be used as inputs to accelerate structure generation. The first structure generators were versions of graph generators modified for chemical purposes.
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.
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.
[1] [2] [3] Introduced by Gilbert N. Lewis in his 1916 article The Atom and the Molecule, a Lewis structure can be drawn for any covalently bonded molecule, as well as coordination compounds. [4] Lewis structures extend the concept of the electron dot diagram by adding lines between atoms to represent shared pairs in a chemical bond.
The layers and sub-layers are separated by the delimiter "/" and start with a characteristic prefix letter (except for the chemical formula sub-layer of the main layer). The six layers with important sublayers are: Main layer (always present) Chemical formula (no prefix). This is the only sublayer that must occur in every InChI.
An example of the difference is the empirical formula for glucose, which is CH 2 O (ratio 1:2:1), while its molecular formula is C 6 H 12 O 6 (number of atoms 6:12:6). For water, both formulae are H 2 O. A molecular formula provides more information about a molecule than its empirical formula, but is more difficult to establish.
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A mnemonic is a memory aid used to improve long-term memory and make the process of consolidation easier. Many chemistry aspects, rules, names of compounds, sequences of elements, their reactivity, etc., can be easily and efficiently memorized with the help of mnemonics.