Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(Cl)=C(NC(=O)COC(=O)CCCC[C@@H]2CCSS2)C=C1

InChIKey

InChIKey=QAHWUUBNGBCIRD-GFCCVEGCSA-N

Formula

C16H19ClN2O5S2

Mass

418.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dithiolanes

Subclass

Lipoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Lipoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Lipoic_acid_derivative - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,2-dithiolane - Organic disulfide - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as lipoic acids and derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consists of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.

External Descriptors

Not available

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