Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C([C@@H](C[N+]([O-])=O)C1=CC=CS1)C(=O)OCC

InChIKey

InChIKey=KKUOFIAHIHDJBK-VIFPVBQESA-N

Formula

C13H17NO6S

Mass

315.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acid esters

Intermediate Tree Nodes

Not available

Direct Parent

Fatty acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Fatty acid ester - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Thiophene - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.

External Descriptors

Not available

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