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CHEBI:47034 - [8]annulene
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ChEBI Name
[8]annulene
ChEBI ID
CHEBI:47034
Definition
An antiaromatic annulene that is cyclooctane having four double bonds at positions 1, 3, 5 and 7.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H8
Net Charge
0
Average Mass
104.14912
Monoisotopic Mass
104.06260
InChI
InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-
InChIKey
KDUIUFJBNGTBMD-BONZMOEMSA-N
SMILES
C1=C/C=C\C=C/C=C\1
ChEBI Ontology
Outgoing
[8]annulene (
CHEBI:47034
)
is a
antiaromatic annulene (
CHEBI:47033
)
IUPAC Names
[8]annulene
cycloocta-1,3,5,7-tetraene
Synonyms
Sources
1,3,5,7-cyclooctatetraene
NIST Chemistry WebBook
cyclooctatetraene
ChemIDplus
Registry Numbers
Types
Sources
1900855
Reaxys Registry Number
Reaxys
629-20-9
CAS Registry Number
ChemIDplus
629-20-9
CAS Registry Number
NIST Chemistry WebBook
Last Modified
13 April 2012