Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1CC(=O)O[C@@H]1COS(=O)(=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=POACCSYQWRSOPN-QWHCGFSZSA-N

Formula

C14H16O7S

Mass

328.34

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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 - Toluene - Dicarboxylic acid or derivatives - Gamma butyrolactone - Organosulfonic acid ester - Tetrahydrofuran - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic oxygen compound - 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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