Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC(C)=CCC1OC(=O)C2=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C(C=C)C(C)=C12

InChIKey

InChIKey=ZZXDTOYLCZAAGU-UHFFFAOYSA-N

Formula

C26H28O7S

Mass

484.56

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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

Benzenesulfonate ester - P-methylbenzenesulfonate - Benzofuranone - Isobenzofuranone - Phthalide - Tosyl compound - Arylsulfonic acid or derivatives - Isocoumaran - Benzenesulfonyl group - Styrene - Fatty acid ester - Toluene - Fatty acid methyl ester - Fatty acyl - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Methyl ester - Organic sulfonic acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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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