Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(F)C(F)=C(F)C(SSC2=C(F)C(C(O)=O)=C(F)C(F)=C2F)=C1F

InChIKey

InChIKey=ZAJOXRPUVHEYDE-UHFFFAOYSA-N

Formula

C14H2F8O4S2

Mass

450.27

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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 - 4-halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Organic disulfide - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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