User cbb759276f
10-03-2010 15:14:23
Marvin 5.2.6 generates 2 different SMILES strings for the same compound, depending on how the molecule is drawn:
CCC(=O)C(\C)=C(/CC)CC
CCC(=O)C(\C)=C(\CC)CC
Is this an issue with SMILES or a problem with the way the SMILES generator is implemented in Marvin?