Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=CC=C1SC(=O)CC1=CC2=C(OCCO2)C=C1

InChIKey

InChIKey=ZSGVATMATIZLGX-UHFFFAOYSA-N

Formula

C17H14O5S

Mass

330.35

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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 - O-sulfanylbenzoic acids and derivatives

Direct Parent

O-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-1,4-dioxane - Benzodioxane - O-sulfanylbenzoic acid - Benzoic acid - Thiophenol ester - Aryl thioether - Benzoyl - Alkyl aryl ether - Para-dioxin - Carbothioic s-ester - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.

External Descriptors

Not available

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