Compound Identification
SMILES
COC(=O)C([C@H]([C@@H]1CCCCC1=O)C1=CC=C(Br)C=C1)C(=O)OC
InChIKey
InChIKey=QHRBQUHBJHPIQJ-HIFRSBDPSA-N
Formula
C18H21BrO5
Mass
397.265
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Bromobenzenes
-
Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Bromobenzenes
Alternative Parents
Fatty acid esters Dicarboxylic acids and derivatives Aryl bromides 1,3-dicarbonyl compounds Methyl esters Cyclic ketones Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Bromobenzene - Fatty acid ester - Aryl bromide - Aryl halide - Fatty acyl - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Methyl ester - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors
Not available