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CHEBI:37519 - cyclohepta-1,3,5-triene

ChEBI IDCHEBI:37519
ChEBI Namecyclohepta-1,3,5-triene
Stars
DefinitionA cycloheptatriene with unsaturation at positions 1, 3 and 5.
Last Modified20 August 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H8
Net Charge0
Average Mass92.141
Monoisotopic Mass92.06260
SMILESC1=CC=CCC=C1
InChIInChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChIKeyCHVJITGCYZJHLR-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
cyclohepta-1,3,5-triene (CHEBI:37519) is a annulene (CHEBI:33662)
cyclohepta-1,3,5-triene (CHEBI:37519) is a cycloheptatriene (CHEBI:51732)
Incoming Relation(s)
cyclohepta-2,4,6-trienylium (CHEBI:48079) has parent hydride cyclohepta-1,3,5-triene (CHEBI:37519)
stipitatic acid (CHEBI:15957) has parent hydride cyclohepta-1,3,5-triene (CHEBI:37519)
tropolone (CHEBI:79966) has parent hydride cyclohepta-1,3,5-triene (CHEBI:37519)
β-thujaplicin (CHEBI:10447) has parent hydride cyclohepta-1,3,5-triene (CHEBI:37519)
cyclohepta-2,4,6-trienyl group (CHEBI:51728) is substituent group from cyclohepta-1,3,5-triene (CHEBI:37519)
IUPAC Name 
cyclohepta-1,3,5-triene
Synonyms  Source
cycloheptatrieneChemIDplus
tropilidineChemIDplus
1,3,5-cycloheptatrieneNIST Chemistry WebBook
tropilideneChemIDplus
CycloheptatrienChEBI
ZykloheptatrienChEBI
Manual XrefsDatabases
CycloheptatrieneWikipedia
WO2011123198Patent
Registry NumbersSources
Gmelin:1943Gmelin
Reaxys:506066Reaxys
CAS:544-25-2ChemIDplus
CAS:544-25-2NIST Chemistry WebBook
Citations