Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC(C(O)=O)=C2SCOC(=O)C2=C1

InChIKey

InChIKey=WRWBODHEKRHMPS-UHFFFAOYSA-N

Formula

C13H14O4S

Mass

266.31

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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

m-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Aryl thioether - 1,3-benzooxathiin - Vinylogous thioester - 1,3-oxathiin - Monothioacetal - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.

External Descriptors

Not available

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