extended SMILES strings

Please can you tell me the (structural) difference between the following two smiles strings:





CC1=CC(O)=C(CC(CC2=C(O)C=C(C)OC2=O)c3ccc(Cl)cc3)C(=O)O1 |c:9,t:1,4,12|


CC1=CC(O)=C(CC(CC2=C(O)C=C(C)OC2=O)c3ccc(Cl)cc3)C(=O)O1 |c:9,t:4,1,12|





What does '|c:9,t:4,1,12|' or '|c:9,t:1,4,12|' actually represent, is this information optional? containted in the source sdf? What are the consequences of removing these appended strings? Can jcman be configured not to write these strings? Are the two codes above considered equivalent? If not how do they differ?





Thanks,


db.

Hi,





There is no structural difference between the two ChemAxon Extended SMILES strings, they are equivalent.


These suffixes contain stereo information to ensure correct search results for JChem.


These suffixes cannot be disabled.





Please read the second part of this topic's answer for further information:





http://www.chemaxon.com/forum/ftopic144.html&highlight=cdsmiles





Let me know if you have further questions.





Best regards,





Szilard