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When I generate a SMILES string with ChemDraw, the structure appears aromatic, and I was not expecting it to be.

Rich Talbot
Date Posted: 2004-02-20
Product: ChemDraw

Problem:

When I generate a SMILES string with ChemDraw, the structure appears aromatic, and I was not expecting it to be.


Solution:

Have a look at your SMILES string. If it contains lowercase "c's", the structure will be aromatic. By definition, a lowercase c in SMILES is aromatic. Use uppercase.

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