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Stereochemistry in Molfile and SMILES

The basic idea of specifying the priority of the atoms around a stereocenter in order to obtain a stereodescriptor is also incorporated into the most widespread structure representations, the Molfile and SMILES (see Sections 2.3.3, and 2.4.6). [Pg.82]

In both encodings, stereoisomerism is discussed with an example of chirality and cisjtrans isomerism. [Pg.82]


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And stereochemistry

Molfile

Stereochemistry in SMILES

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