What is the Name of molecule and smiles strings ?

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07-06-2021
Chemistry

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What is the Name of molecule and smiles strings ?

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Fraydelin Fraydelin · Answer 1 · 2021-06-07T11:21:02-04:00

Fraydelin Fraydelin

07-06-2021

Explanation:

Aromatic nitrogen bonded to hydrogen, as found in pyrrole must be represented as [nH] ; thus imidazole is written in SMILES notation as n1c[nH]cc1 . When aromatic atoms are singly bonded to each other, such as in biphenyl, a single bond must be shown explicitly: c1ccccc1-c2ccccc2 .

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