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Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(S[C@@H]2C[C@H]3OC(=O)O[C@@H]3[C@@H](COC(=O)C3=CC=CC=C3)O2)C=C1

InChIKey

InChIKey=FBHGWULREWEUKQ-MKXGPGLRSA-N

Formula

C21H20O6S

Mass

400.45

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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

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Dioxolopyran - Aryl thioether - Benzoyl - Toluene - Carbonic acid diester - Oxane - Monosaccharide - Meta-dioxolane - Monothioacetal - Carboxylic acid ester - Carbonic acid derivative - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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