Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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