SMILES

Assalamualaikum,

The 3rd and the last post for my KOS 1110 class for today. 

SMILES... smiles here is not a facial expression but SMILES is actually something we learned in class. SMILES stands for Simplified Molecular Input Line Entry System. 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. Basically its a simplified way of writing  the notation for a chemical structure. The best way to see it is by looking at a few examples.

SMILES	Name	SMILES	Name
CC	ethane	[OH3+]	hydronium ion
O=C=O	carbon dioxide	[2H]O[2H]	deuterium oxide
C#N	hydrogen cyanide	[235U]	uranium-235
CCN(CC)CC	triethylamine	F/C=C/F	E-difluoroethene
CC(=O)O	acetic acid	F/C=C\F	Z-difluoroethene
C1CCCCC1	cyclohexane	N[C@@H](C)C(=O)O	L-alanine
c1ccccc1	benzene	N[C@H](C)C(=O)O	D-alanine

And here are the examples that I have been done at the class:

SMILE NOTATION

 SMILE NOTATION

This is were we can use Chemsketch. The program will generate the SMILES notation after we sketch the chmeical structure.