Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(C=C1)N1C(=S)SC(=CC2=CC=C(O2)C2=CC(C(O)=O)=C(Cl)C=C2)C1=O

InChIKey

InChIKey=NNPQULVTUPIGQJ-UHFFFAOYSA-N

Formula

C23H16ClNO4S2

Mass

469.95

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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

Halobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Halobenzoic acid - 2-halobenzoic acid - Benzoic acid - M-xylene - Xylene - Benzoyl - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Thiazolidinethione - Heteroaromatic compound - Furan - Thiazolidine - Vinylogous halide - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.

External Descriptors

Not available

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