Compound Identification
SMILES
COC1=CC(=O)C2(Cl)OC2(C1O)C(\Br)=C\C
InChIKey
InChIKey=ZUIUWTMUNDXACU-UTCJRWHESA-N
Formula
C10H10BrClO4
Mass
309.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Vinylogous esters Alpha-chloroketones Secondary alcohols Vinyl bromides Oxacyclic compounds Epoxides Dialkyl ethers Bromoalkenes Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Alpha-haloketone - Alpha-chloroketone - Vinylogous ester - Secondary alcohol - Dialkyl ether - Oxirane - Ether - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Bromoalkene - Oxacycle - Organochloride - Organic oxide - Alkyl halide - Alcohol - Hydrocarbon derivative - Alkyl chloride - Organohalogen compound - Organobromide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available