Compound Identification
SMILES
CCC(C)N(CC1=CC=C(OS(C)(=O)=O)C=C1)C(=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=DJEPUPFUEOIKFQ-UHFFFAOYSA-N
Formula
C19H22ClNO4S
Mass
395.9
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 Chlorobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Sulfonyls Methanesulfonates Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Chlorobenzene - Halobenzene - Organosulfonic acid ester - Sulfonic acid ester - Aryl halide - Aryl chloride - Vinylogous halide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Carboxamide group - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Organochloride - 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