Structure Information
Structure

Compound Identification

SMILES

CC(OC(C)=O)C(=O)NCC1=CC=C(C=C1)C1OC(CSC2=CC=C(C=C2)C(O)=O)C(C)C(O1)C1=CC=C(CO)C=C1

InChIKey

InChIKey=GNLHQKRWHUXVHX-UHFFFAOYSA-N

Formula

C32H35NO8S

Mass

593.69

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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 - Aryl thioether - Thiophenol ether - Benzyl alcohol - Benzoyl - Alkylarylthioether - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Meta-dioxane - Thioenolether - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - 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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