Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(COC2[C@H]3OC4(CCCCC4)O[C@H]3C(OS(=O)(=O)C3=CC=C(C)C=C3)[C@@H]3OC4(CCCCC4)O[C@@H]23)C=C1

InChIKey

InChIKey=XQCQLDVPQWVRKT-ZJDBPITKSA-N

Formula

C33H42O9S

Mass

614.75

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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 heteropolycyclic compounds

Substituents

P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Benzylether - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Toluene - Ketal - Alkyl aryl ether - Organosulfonic acid ester - Meta-dioxolane - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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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