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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.
In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds .
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.
ChemMantis, [14] the Chemistry Markup And Nomenclature Transformation Integrated System uses algorithms to identify and extract chemical names from documents and web pages and converts the chemical names to chemical structures using name-to-structure conversion algorithms and dictionary look-ups in the ChemSpider database. The result is an ...
1-Butanol, also known as butan-1-ol or n-butanol, is a primary alcohol with the chemical formula C 4 H 9 OH and a linear structure. Isomers of 1-butanol are isobutanol, butan-2-ol and tert-butanol. The unmodified term butanol usually refers to the straight chain isomer.
E)-Stilbene, commonly known as trans-stilbene, is an organic compound represented by the condensed structural formula C 6 H 5 CH=CHC 6 H 5. Classified as a diarylethene, it features a central ethylene moiety with one phenyl group substituent on each end of the carbon–carbon double bond.
1-Hexanol (IUPAC name hexan-1-ol) is an organic alcohol with a six-carbon chain and a condensed structural formula of CH 3 (CH 2) 5 OH. This colorless liquid is slightly soluble in water, but miscible with diethyl ether and ethanol.
Decane is an alkane hydrocarbon with the chemical formula C 10 H 22. Although 75 structural isomers are possible for decane, the term usually refers to the normal-decane ("n-decane"), with the formula CH 3 (CH 2) 8 CH 3. All isomers, however, exhibit similar properties and little attention is paid to the composition. [5] These isomers are ...