Compound Identification
SMILES
COC(=O)C1=CC(=C(Br)C=C1C)S(=O)(=O)CCCO
InChIKey
InChIKey=HMAGMBYDJRWOIN-UHFFFAOYSA-N
Formula
C12H15BrO5S
Mass
351.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Toluenes Bromobenzenes Aryl bromides Sulfones Methyl esters Primary alcohols Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Sulfonyl - Sulfone - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Primary alcohol - Organohalogen compound - Organobromide - Alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available