Compound Identification
SMILES
COC(=O)C1=C([C@H]2C(=O)[C@@H]1[C@]13[C@H]4C[C@H](C=C4)[C@]21C(=O)C(Br)=C(Br)C3=O)C(=O)OC
InChIKey
InChIKey=OVWXOFVHCFEATL-JBUVXQFPSA-N
Formula
C20H14Br2O7
Mass
526.133
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
Dicarboxylic acids and derivatives Vinylogous halides Methyl esters Enoate esters Alpha-haloketones Vinyl bromides Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cyclohexenone - Dicarboxylic acid or derivatives - Alpha-haloketone - Methyl ester - Enoate ester - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Vinyl bromide - Vinyl halide - Bromoalkene - Haloalkene - Organobromide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aliphatic homopolycyclic 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