Compound Identification
SMILES
CC(C)CN(CC1=CC(OS(C)(=O)=O)=CC=C1)C(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=CPIYIQREVGHEEC-UHFFFAOYSA-N
Formula
C19H22BrNO4S
Mass
440.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Phenoxy compounds Benzoyl derivatives Bromobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl bromides Vinylogous halides Tertiary carboxylic acid amides Sulfonyls Methanesulfonates Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Carboxylic acid derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available