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Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC1SC(C)(C)SC1C(O)=O

InChIKey

InChIKey=DKYLNDHJRMQACU-UHFFFAOYSA-N

Formula

C14H18O5S3

Mass

362.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonate esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Dithiolanecarboxylic acid - 1,3-dithiolanecarboxylic acid - 1,3-dithiolane-4-carboxylic acid - Dithioketal - Toluene - Organosulfonic acid ester - Thioacetal - Dithiolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - 1,3-dithiolane - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Thioether - Organoheterocyclic compound - Dialkylthioether - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.

External Descriptors

Not available

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