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CHEBI:195206 - 1,2,3-cyclohexatriene

ChEBI IDCHEBI:195206
ChEBI Name1,2,3-cyclohexatriene
Stars
DefinitionA cycloalkatriene that is cyclohexane carrying three double bonds at positions 1, 2 and 3. It is a highly strained isomer of benzene.
Last Modified3 May 2023
SubmitterAdnan
DownloadsMolfile
FormulaC6H6
Net Charge0
Average Mass78.114
Monoisotopic Mass78.04695
SMILESC1=C=CCCC=1
InChIInChI=1S/C6H6/c1-2-4-6-5-3-1/h1,6H,2,4H2
InChIKeyLQABCMYNMHGWFU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2,3-cyclohexatriene (CHEBI:195206) is a cycloalkatriene (CHEBI:36402)
IUPAC Name 
cyclohexa-1,2,3-triene
Registry NumbersSources
CAS:90866-90-3PubChem Compound
Citations