Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC=C1C1NC(=O)N(CCCC(O)=O)C(C)=C1C(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=YTVCOOQMSIPUSR-UHFFFAOYSA-N

Formula

C30H30N2O8S

Mass

578.64

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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 - Benzyloxycarbonyl - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Pyrimidone - Toluene - Dicarboxylic acid or derivatives - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Organosulfonic acid ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Sulfonyl - Enoate ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Carboxylic acid ester - Carboxylic acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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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