Editing User:ColorfulGalaxy/Sandbox

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

; Symbols
{| class="wikitable sortable"
! Name !! SMILES !! Example name !! Example SMILES
|-
| Zero bond || <code>.</code> || XKCD Oxygen crystal || <pre>[O].[O]</pre>
|-
| Single bond || <code>-</code><ref name="singlebond" group="note"/> || Ethane || <pre>C-C</pre>
|-
| Double bond || <code>=</code> || Ethene || <pre>C=C</pre>
|-
| [[Linguistics Club|Sesqui]] bond || <code>:</code> || Benzene (sesqui bond notation) || <pre>C(:1):C:C:C:C:C1</pre>
|-
| Triple bond || <code>#</code> || Ethyne || <pre>C#C</pre>
|-
| Branch group R || <code>(R)</code> || Isobutane || <pre>CC(C)C</pre>
|-
| Element "A" with mass number b || <code>[<i>bA</i>]</code> || Deuterium gas || <pre>[2H][2H]</pre>
|-
| An "A" ion with positive charge b || <code>[<i>A</i>+<i>b</i>]</code> || Sodium ion || <pre>[Na+1]</pre>
|}

; Useful substrings
{| class="wikitable sortable"
! Name !! SMILES
|-
| Osazone || <code>C(=NNC1=CC=CC=C1)C(=NNC1=CC=CC=C1)</code>
|}

== Notes ==
<references group="note">
<ref name="singlebond">Single bond <code>-</code> is often omitted.</ref>
</references>

httpd://conwaylife.com/forums/viewtopic.php?f=12&t=4249&p=144482#p144482
[[:Category:Chemistry]]
@@ Line 11: / Line 11: @@
 | Double bond || <code>=</code> || Ethene || <pre>C=C</pre>
 |-
-| [[Linguistics Club|Sesqui]] bond || <code>:</code> || Benzene (sesqui bond notation) || <pre>C1:C:C:C:C:C:1</pre>
+| [[Linguistics Club|Sesqui]] bond || <code>:</code> || Benzene (sesqui bond notation) || <pre>C(:1):C:C:C:C:C1</pre>
 |-
 | Triple bond || <code>#</code> || Ethyne || <pre>C#C</pre>
 |-
-| Branch group R || <code>(<i>R</i>)</code> || Isobutane || <pre>CC(C)C</pre>
+| Branch group R || <code>(R)</code> || Isobutane || <pre>CC(C)C</pre>
-|-
-| Branch group R via double bond || <code>(=<i>R</i>)</code> || Acetic acid || <pre>CC(=O)O</pre>
-|-
-| Teleport bond || <code><i>1</i></code> || Cyclohexane || <pre>C1CCCCC1</pre>
-|-
-| Teleport bond with multiple-digit ID such as "12" || <code>%<i>12</i></code> || tricyclo[2.1.0.0<sup>1,3</sup>]pentane || <pre>C1%12CC2%12CC12</pre>
-|-
-| Aromatic carbon atom || <code>c</code> || Benzene (lowercase notation) || <pre>c1ccccc1</pre>
-|-
-| Aromatic nitrogen atom || <code>n</code> || Pyridine (lowercase notation) || <pre>n1ccccc1</pre>
-|-
-| Aromatic oxygen atom || <code>o</code> || Furan (lowercase notation) || <pre>o1cccc1</pre>
 |-
 | Element "A" with mass number b || <code>[<i>bA</i>]</code> || Deuterium gas || <pre>[2H][2H]</pre>
 |-
 | An "A" ion with positive charge b || <code>[<i>A</i>+<i>b</i>]</code> || Sodium ion || <pre>[Na+1]</pre>
-|-
-| An "A" ion with negative charge b || <code>[<i>A</i>-<i>b</i>]</code> || Chlorine ion || <pre>[Cl-1]</pre>
-|-
-| <pre>A       D
- \     /
-  C = C
- /     \
-B       E</pre><ref group="note" name="cistrans"/> || <code><i>A</i>/C(<i>B</i>)=C(<i>D</i>)/<i>E</i></code> || Cis-but-2-ene || <pre>[H]/C(C)=C([H])/C</pre>
-|-
-| <pre>D   B
- \ /
-  A
-  |
-  E</pre><ref group="note" name="chirality"/> || <code><i>A</i>[C@](<i>B</i>)(<i>D</i>)<i>E</i></code> || L-alanine || <pre>N[C@](C)([H])C(=O)O</pre>
 |}
@@ Line 58: / Line 32: @@
 <references group="note">
 <ref name="singlebond">Single bond <code>-</code> is often omitted.</ref>
-<ref name="cistrans">You can also use the <code>&#92;</code> character. In this case, Cis-but-2-ene can be represented as <code>C/C=C&#92;C</code>.<br>If A is larger than B and D is larger than E, this is called a "Z-" structure. If A is smaller than B and D is larger than E, this is called a "E-" structure.</ref>
-<ref name="chirality">This is a top view of the molecule, with the carbon atom obscured under the "A" with a single bond in between.<br>The structure can also be represented as <code><i>A</i>[C@@](<i>D</i>)(<i>B</i>)<i>E</i></code>.</ref>
 </references>
 httpd://conwaylife.com/forums/viewtopic.php?f=12&t=4249&p=144482#p144482
 [[:Category:Chemistry]]