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SMILES

SMILES

Aug 12, 20231 min read

  • Chemistry

SMILES Guide

Wikipedia on Simplified Molecular Input Line-Entry System

You can also look up SMILES notation on Wikipedia for any particular compound

Drawer to SMILES

Example Molecules

Bonds

Single bond

CCCC
CCCC

Double bond

CCC=C
CCC=C

Triple bond

CCC#C
CCC#C

Note: for some reason,

CC#C

renders as

CC#C

when it should look more like -=

Aromatic bond

c1ccccc1
c1ccccc1

Graph View

  • SMILES Guide
  • Wikipedia on Simplified Molecular Input Line-Entry System
  • Drawer to SMILES
  • Example Molecules
  • Bonds
  • Single bond
  • Double bond
  • Triple bond
  • Aromatic bond

Backlinks

  • Chemistry
  • Molecule Representations

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