Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(Cl)C=CC(SC(Cl)(Cl)Cl)=C1

InChIKey

InChIKey=WJZYPRGDEHKUFJ-UHFFFAOYSA-N

Formula

C8H4Cl4O2S

Mass

305.98

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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

Sulfanylbenzoic acids and derivatives - M-sulfanylbenzoic acids and derivatives

Direct Parent

M-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

M-sulfanylbenzoic acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Aryl thioether - 1-carboxy-2-haloaromatic compound - Thiophenol ether - Benzoyl - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Organic oxygen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.

External Descriptors

Not available

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