A report on Chemical formula, International Chemical Identifier and Chemical substance
The IUPAC International Chemical Identifier (InChI or ) is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web.
- International Chemical IdentifierChemical formulae can fully specify the structure of only the simplest of molecules and chemical substances, and are generally more limited in power than chemical names and structural formulae.
- Chemical formula2) * Chemical formula (no prefix). This is the only sublayer that must occur in every InChI. Numbers used throughout the InChI are given in the formula's element order excluding hydrogen atoms. For example, “/C10H16N5O13P3” implies that atoms numbered 1–10 are carbons, 11–15 are nitrogens, 16–28 are oxygens, and 29–31 are phosphorus.
- International Chemical IdentifierIn addition, linear naming systems such as International Chemical Identifier (InChI) allow a computer to construct a structural formula, and simplified molecular-input line-entry system (SMILES) allows a more human-readable ASCII input.
- Chemical formulaChemists frequently refer to chemical compounds using chemical formulae or molecular structure of the compound.
- Chemical substanceOther computer-friendly systems that have been developed for substance information, are: SMILES and the International Chemical Identifier or InChI.
- Chemical substance0 related topics with Alpha