Compound Identification
SMILES
CC(C)N(C(=O)C1=C(Br)C=C(Cl)C=C1)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=ODAAXAHLDUAIKF-UHFFFAOYSA-N
Formula
C21H17BrClNO3S
Mass
478.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Thiophene carboxylic acids 2,3,5-trisubstituted thiophenes Benzoyl derivatives Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Vinylogous halides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Benzoyl - Chlorobenzene - Halobenzene - Bromobenzene - Aryl chloride - Aryl bromide - Aryl halide - Vinylogous halide - Thiophene - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available