Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(OC2CCOC2=O)C=CC(SC)=C1

InChIKey

InChIKey=ZTIGZNOIQUYTAL-UHFFFAOYSA-N

Formula

C13H14O5S

Mass

282.31

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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

Sulfanylbenzoic acids and derivatives

Direct Parent

M-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - M-sulfanylbenzoic acid or derivatives - Phenoxy compound - Aryl thioether - Benzoyl - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Dicarboxylic acid or derivatives - Gamma butyrolactone - Methyl ester - Oxolane - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.

External Descriptors

Not available

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