Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C(NC(=O)COC(=O)CCCC[C@@H]2CCSS2)=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=VGKSSWNKFBMFEP-CQSZACIVSA-N

Formula

C18H24N2O5S2

Mass

412.52

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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 - Nitrotoluene - Anilide - Nitroaromatic compound - O-xylene - Xylene - N-arylamide - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,2-dithiolane - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic disulfide - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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 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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