CHEBI:668 - 1-Phenyl-5-heptene-1,3-diyne

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-Phenyl-5-heptene-1,3-diyne
ChEBI ID CHEBI:668
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H10
Net Charge 0
Average Mass 166.219
Monoisotopic Mass 166.07825
InChI InChI=1S/C13H10/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-3,6,8-9,11-12H,1H3/b3-2+
InChIKey OQOPFMDMSRLRRH-NSCUHMNNSA-N
SMILES C\C=C\C#CC#Cc1ccccc1
ChEBI Ontology
Outgoing 1-Phenyl-5-heptene-1,3-diyne (CHEBI:668) is a benzenes (CHEBI:22712)
Synonyms Sources
1-Phenyl-5-heptene-1,3-diyne KEGG COMPOUND
Benzene, 5-heptene-1,3-diynyl- KEGG COMPOUND
Manual Xrefs Databases
C00001291 KNApSAcK
C08457 KEGG COMPOUND
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Registry Number Type Source
13678-98-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014