Structure Information
Structure

Compound Identification

SMILES

NS(=O)(=O)C1=CC(C(O)=O)=C(SCCCO)C=C1

InChIKey

InChIKey=KMDSAQWFHHZZKI-UHFFFAOYSA-N

Formula

C10H13NO5S2

Mass

291.34

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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 - O-sulfanylbenzoic acids and derivatives

Direct Parent

O-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzenesulfonamide - O-sulfanylbenzoic acid - Benzoic acid - Benzenesulfonyl group - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Organosulfonic acid amide - Vinylogous thioester - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Primary alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen 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

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