Search results
Results from the WOW.Com Content Network
The Hill system (or Hill notation) is a system of writing empirical chemical formulae, molecular chemical formulae and components of a condensed formula such that the number of carbon atoms in a molecule is indicated first, the number of hydrogen atoms next, and then the number of all other chemical elements subsequently, in alphabetical order ...
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.
Chemical formulae with deuterated solvents (for example, in NMR use) are customarily described with "D" as chemical symbol: CD 3 OD, methanol-d 4; CD 3 SOCD 3, DMSO-d 6 (regular notation would be C 2 H 3 O 2 H). These established systems are acceptable, provided they are consistent within an article.
chemical/x-daylight-smiles Simplified molecular input line entry specification: A line notation for molecules. .sdf: chemical/x-mdl-sdfile Structure-Data File.el: chemical/x-sketchel SketchEl Molecule .ds: chemical/x-datasheet SketchEl XML DataSheet .inchi: chemical/x-inchi IUPAC International Chemical Identifier (InChI) .jsd, .jsdraw: chemical ...
Modern alphabetic notation was introduced in 1814 by Jöns Jakob Berzelius; its precursor can be seen in Dalton's circled letters for the metals, especially in his augmented table from 1810. [11] A trace of Dalton's conventions also survives in ball-and-stick models of molecules, where balls for carbon are black and for oxygen red.
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.
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.
SMILES arbitrary target specification (SMARTS) is a language for specifying substructural patterns in molecules.The SMARTS line notation is expressive and allows extremely precise and transparent substructural specification and atom typing.