Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)S(=O)CC1=CC(Br)=CC=C1

InChIKey

InChIKey=VUQDTIIMLQLBIX-UHFFFAOYSA-N

Formula

C15H10BrF3O5S2

Mass

471.26

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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

Benzyl sulfoxide - M-sulfanylbenzoic acid - Phenyl sulfoxide - Benzenesulfonyl group - Benzoic acid - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Sulfonyl - Sulfone - Sulfoxide - Trihalomethane - Sulfinyl compound - Carboxylic acid derivative - Carboxylic acid - Alkyl fluoride - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - 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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