Structure Information
Structure

Compound Identification

SMILES

CC(C)COC(=O)C1=CC(O)=C(C(=O)OCC(C)C)C(=C1O)S(=O)(=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=KCUNXWPSBDRTJW-UHFFFAOYSA-N

Formula

C23H28O8S

Mass

464.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Phthalic acid and derivatives - Phthalate esters

Direct Parent

p-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Para-phthalic acid ester - Para_phthalic_acid - M-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoate ester - Tosyl compound - Salicylic acid or derivatives - Benzenesulfonyl group - Benzoyl - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Vinylogous acid - Sulfonyl - Sulfone - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.

External Descriptors

Not available

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