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Structural Identifiers

Various identifiers for the chemical, including:

  • IUPACThe International Union of Pure and Applied Chemistry is an international federation of National Adhering Organizations that represents chemists in individual countries. It is a member of the International Science Council (ISC). IUPAC is registered in Zürich, Switzerland, and the administrative office, known as the “IUPAC Secretariat”, is in Research Triangle Park, North Carolina, United States. - WikipediaEXIT. name
  • SMILESThe 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. - WikipediaEXIT. NOTE: the Dashboard uses three flavors of SMILES. structure
  • Full InChIThe IUPAC International Chemical Identifier 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. Initially developed by IUPAC (International Union of Pure and Applied Chemistry) and NIST (National Institute of Standards and Technology) from 2000 to 2005, the format and algorithms are non-proprietary. - WikipediaEXIT. string
  • InChIKeyThe condensed, 27 character InChIKey is a hashed version of the full InChI (using the SHA-256 algorithm), designed to allow for easy web searches of chemical compounds.[4] The standard InChIKey is the hashed counterpart of standard InChI. - WikipediaEXIT. (for searching on-line).

There are also links to open a Google search page for the structural skeleton (first part of the InChIKey, or the full structure (full InChIKey).

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