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SMILES tutorial

Assalamualaikum...

Today's post is about how to draw SMILES structure. SMILES stands for Simplified Molecular Input Line Entry System. It is widely used and computationally efficient. It also uses atomic symbols and a set of intuitive rules. hydrogen-suppressed molecular graphs (HSMG) is being applied to complete this tutorial.


1.     C=CCC=CO




2.       CCN(CC)CC

3.      CC(C)C(=O)O


4.     CC(C)C(CCC)C(CCC)C=C



5.       C1CCCCC1


6.       CC1=CC(Br)CCC1



7.     C1CN(CCC1)C2CCCCO2


8.     c1ccco1


9.     O=C1C=CN=CN1




10.      c1ccccn1



11.      O=n1ccccc1



12.  [O-][n+]1ccccc1

13.     O=C1C=CC=CN1


14.     Cn1cccc1


15.     c1cccn1




16.     Oc1ccccn1



17.     C\C=C\C=C\F


18.       F/C=C/C=CC



Thats all from us.. thank you.. =)