Compound Identification
SMILES
CCC(Br)C1CC(OC(C)=O)C(Cl)CC(Cl)C(CC=CC#C)O1
InChIKey
InChIKey=CGQNAFNBYGFLTH-UHFFFAOYSA-N
Formula
C17H23BrCl2O3
Mass
426.17
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Carboxylic acid derivatives
- Level 5 Carboxylic acid esters
-
Subclass
Carboxylic acid derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Carboxylic acid esters
Alternative Parents
Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetylides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Alkyl bromides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Carboxylic acid ester - Acetylide - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkyl bromide - Organochloride - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
External Descriptors
Not available