Double bonds with Marvin Sketch 4.1.6

Good afternoon,





We have found a problem with the way that 2-methyl-2-butene is converted into Smiles with Marvin Sketch.


C\C=C(\C)C


But in this case, the molecule is symmetrical so the "\" should not be present.





Thanks


Catherine

In this case please use 'q' option in SMILES export or export to uniqe SMILES format


see


http://www.chemaxon.com/marvin/doc/user/smiles-doc.html#options





Andras