Structure Information
Structure

Compound Identification

SMILES

OCC1=CC=C(C=C1)C1CC(CSC2=CC=C(C=C2)C(O)=O)OC(O1)C1=CC(NC(=O)CCCC(=O)NO)=CC=C1

InChIKey

InChIKey=LSQNSXYTDOXUKI-UHFFFAOYSA-N

Formula

C30H32N2O8S

Mass

580.65

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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 - P-sulfanylbenzoic acids and derivatives

Direct Parent

P-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.

External Descriptors

Not available

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