Structure Information
Structure

Compound Identification

SMILES

COC1=C2SC3=C(C(OC)=C(C=C3)C(O)=O)C(=O)OCC2=CC(C)=C1

InChIKey

InChIKey=PKUCKZMFQSVIEA-UHFFFAOYSA-N

Formula

C18H16O6S

Mass

360.38

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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 - O-methoxybenzoic acid or derivatives - Diarylthioether - Anisole - Aryl thioether - Phenol ether - Alkyl aryl ether - Vinylogous thioester - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Thioether - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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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