Compound Identification
SMILES
CC(=O)OC1C(Br)C2CC1C1(Cl)C(=O)C(Cl)=C(Cl)C(=O)C21Cl
InChIKey
InChIKey=CPESBBQHSPOCLD-UHFFFAOYSA-N
Formula
C13H9BrCl4O4
Mass
450.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Monoterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Monoterpenoids
Alternative Parents
Cyclohexenones Vinylogous halides Alpha-chloroketones Carboxylic acid esters Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Norbornane monoterpenoid - Monoterpenoid - Cyclohexenone - Alpha-haloketone - Alpha-chloroketone - Vinylogous halide - Ketone - Carboxylic acid ester - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Alkyl bromide - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as monoterpenoids. These are compounds containing a chain of two isoprene units.
External Descriptors
Not available