Structure Information
Structure

Compound Identification

SMILES

CCCC1=C(C=C(C(O)=O)C(C)=C1)S(O)=O

InChIKey

InChIKey=QCXJZOWMKPEGFI-UHFFFAOYSA-N

Formula

C11H14O4S

Mass

242.29

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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 - Phenylpropane - Benzoic acid - Benzoyl - Toluene - Sulfinic acid - Sulfinic acid derivative - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen 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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