Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

_chemical_identifier_inchi

Name:
'_chemical_identifier_inchi'

Definition:

   The IUPAC International Chemical Identifier (InChI) is
   a textual identifier  for chemical substances, designed 
   to provide a standard and human-readable way to 
   encode molecular information and to facilitate the
   search for such information in databases and on the
   web.

   Ref: McNaught, A. (2006). Chem. Int. (IUPAC), 28 (6), 12-14.
        http://www.iupac.org/inchi/

Example:

InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H naphthalene

Type: char

Category: chemical


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.