sMiLes~~

Tuesday, January 11, 2011






SMILES
The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of chemical molecules using short ASCII strings

SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules 





Ethene C=C
Chloroethene ClC=C
1,1-Dichloroethene ClC(Cl)=C
Trichloroethene ClC(Cl)=CCl


go to SMILESCAS database. :)

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