User 7c177bab3b
15-07-2015 16:55:28
Hi
6.3.4
molconvert smiles v3000.mol
gives an error
Some features of the molecule which simplest SMILES representation is: [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6])-[#8] cannot be converted to smiles.
Molecule has not supported feature at atom 3: atom has defined stereo group type.
Converting to mol:V2 works fine.
Neither V2000 mol nor SMILES support the enhanced stereochemistry so why the difference?
I don't want to go via cxsmiles, though I guess I could strip the annotations out to get the SMILES part.
Thanks
Stephen