Structure Information
Structure

Compound Identification

SMILES

[Na+].CCCCCCCCCC1=CC=C(C=C1)C(CCCCC([O-])=O)SC1=CC=CC=C1

InChIKey

InChIKey=JOZQMEBBYVFHTB-UHFFFAOYSA-M

Formula

C27H37NaO2S

Mass

448.64

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acids and conjugates

Intermediate Tree Nodes

Not available

Direct Parent

Medium-chain fatty acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aryl thioether - Thiophenol ether - Medium-chain fatty acid - Thia fatty acid - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Organic alkali metal salt - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic sodium salt - Organic oxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

External Descriptors

Not available

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