Here's another molecule with two different canonical SMILES. In this case, the molecule is very simple:
http://www.emolecules.com/image?db=549&id=513261&width=500&height=500 [C@@H]([...@h](CO)O)([C@@H](CO)O)O [...@h]([C@@H](CO)O)([...@h](CO)O)O It's another case with that's symmetrical except for the chirality. Craig ------------------------------------------------------------------------------ Beautiful is writing same markup. Internet Explorer 9 supports standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. Spend less time writing and rewriting code and more time creating great experiences on the web. Be a part of the beta today. http://p.sf.net/sfu/beautyoftheweb _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
