Structure Information
Structure

Compound Identification

SMILES

CC(OC(C)=O)C(=O)NC1=CC=CC(=C1)C1OC(CSC2=CC=CC=C2C(O)=O)CC(O1)C1=CC=C(CO)C=C1

InChIKey

InChIKey=CSYLYTQBGSSWHT-UHFFFAOYSA-N

Formula

C30H31NO8S

Mass

565.64

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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 heteromonocyclic compounds

Substituents

O-sulfanylbenzoic acid - Benzoic acid - Anilide - Aryl thioether - Benzoyl - Benzyl alcohol - N-arylamide - Thiophenol ether - Alkylarylthioether - Meta-dioxane - Vinylogous thioester - Dicarboxylic acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Aromatic alcohol - Organic oxide - Aromatic heteromonocyclic 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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