International Chemical Identifier

The IUPAC International Chemical Identifier ( InChI, pronounced " Intschie " ), (English: International Chemical Identification IUPAC) is a chemical structure code, which allows a molecule in a standardized string to translate. This then databases or the Internet can be more easily searched.

The code was developed in the period from 2000 to 2004 by the IUPAC and NIST and is the IUPAC nomenclature for each particular chemical compound digital counterpart dar. addition to the main plane is defined by the chemical structure of five levels of information - connectivity, tautomerism, isotopy, stereochemistry and formal charge.

The InChI algorithm converts input structural information into a three-stage process in the identification string - normalization ( removal of redundant information) canonization ( creating a unique set of atomic identifiers ), serialization (arrangement of information in a clear order) to. The software and the format are indeed protected by trademark, however, released as free software under the LGPL.

Examples

Levels

There are six levels InChI:

Sub-levels

Each level can be in the sub- levels ( lower levels ) split. For example, the main level is split into three sub- levels:

Notation

Level and sub-levels are defined in each case by a "/" from each other. All levels and sub-levels with the exception of Chemical Formula sublevel of the main level begin with a lowercase letter that indicates the type of information of the planes.