CHEBI:195206 - 1,2,3-cyclohexatriene

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ChEBI Name 1,2,3-cyclohexatriene ChEBI ID CHEBI:195206 Definition A cycloalkatriene that is cyclohexane carrying three double bonds at positions 1, 2 and 3. It is a highly strained isomer of benzene. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H6 Net Charge 0 Average Mass 78.114 Monoisotopic Mass 78.04695 InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1,6H,2,4H2 InChIKey LQABCMYNMHGWFU-UHFFFAOYSA-N SMILES C1CC=C=C=C1 ChEBI Ontology Outgoing 1,2,3-cyclohexatriene (CHEBI:195206) is a cycloalkatriene (CHEBI:36402) IUPAC Name cyclohexa-1,2,3-triene Registry Number Type Source 90866-90-3 CAS Registry Number PubChem Citations Types Sources 16839152 PubMed citation Europe PMC 37075803 PubMed citation Europe PMC Last Modified 03 мая 2023