User:ColorfulGalaxy/Sandbox

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This page is a sandbox for the upcoming guide for SMILES.

Name SMILES Example name Example SMILES
Zero bond . XKCD Oxygen crystal
[O].[O]
Single bond -[note 1] Ethane
C-C
Double bond = Ethene
C=C
Sesqui bond : Benzene (sesqui bond notation)
C(:1):C:C:C:C:C1
Triple bond # Ethyne
C#C
Branch group R (R) Isobutane
CC(C)C
Element "A" with mass number b [bA] Deuterium gas
[2H][2H]
An "A" ion with positive charge b [A+b] Sodium ion
[Na+1]

Notes

  1. Single bond - is often omitted.

Category:Chemistry