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The absolute orientation of a molecule in space: Extension of the 'CIP' system

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image of Research on Chemical Intermediates

A scheme for denoting the absolute spatial orientation of molecules and molecular fragments is presented; this is based on three angular deviations — one for each spatial dimension — with respect to a reference orientation, which is itself defined with the help of certain features of the Cahn-Ingold-Prelog stereochemical notation. The new scheme helps in reconstructing the three-dimensional characteristics of molecules from purely verbal descriptors, and may thus find application in various information storage and retrieval processes (e.g. encrypting holograms, etc.).


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