Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CCC[C@@]2(C)CC(=O)C=C[C@]12CCOS(=O)(=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=BGMPQYCYLPQHLW-YYWHXJBOSA-N

Formula

C21H28O4S

Mass

376.51

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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 homopolycyclic compounds

Substituents

P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Cyclohexenone - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Cyclic ketone - Organic oxygen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homopolycyclic 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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