Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=DQFBXNUBIZWFAU-UHFFFAOYSA-N

Formula

C10H5F7O2S

Mass

322.2

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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 - P-sulfanylbenzoic acids and derivatives

Direct Parent

P-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

P-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.

External Descriptors

Not available

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