Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=CC=C1S(=O)CC1=CC=C(Br)C=C1

InChIKey

InChIKey=XWPQKVUKUDQUFS-UHFFFAOYSA-N

Formula

C14H11BrO3S

Mass

339.2

Export to:

JSON SDF CSV

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 - O-sulfanylbenzoic acids and derivatives

Direct Parent

O-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzyl sulfoxide - O-sulfanylbenzoic acid - Phenyl sulfoxide - Benzoic acid - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfoxide - Sulfinyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.

External Descriptors

Not available

Previous Back Next