Simplified Molecular Input Line Entry System: Difference between revisions

Revision as of 15:37, 26 September 2020

Revision as of 15:51, 9 October 2020

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Bond direction symbols always come in groups of at least two, of which the first is arbitrary. That is, <code>F\C=C\F</code> is the same as <code>F/C=C/F</code>. When alternating single-double bonds are present, the groups are larger than two, with the middle directional symbols being adjacent to two double bonds. For example, the common form of (2,4)-hexadiene is written <code>C/C=C/C=C/C</code>.

[[File:Beta-Carotene_conjugation.svg|thumb|right|upright-=0.866|[[Beta-carotene]], with the eleven double bonds highlighted.]]

As a more complex example, [[beta-carotene]] has a very long backbone of alternating single and double bonds, which may be written <code>CC1CCC/C(C)=C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)/CCCC2(C)C</code>.