Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=KDMJCVVCTLOBLB-LWLVDVGCSA-N

Formula

C17H22O7S

Mass

370.42

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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

P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Fatty acid ester - Toluene - Ketal - Fatty acyl - Organosulfonic acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Meta-dioxolane - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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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