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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dithiolanes
- Subclass Lipoic acids and derivatives
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Class
Dithiolanes
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Superclass
Organoheterocyclic compounds
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
Anilides Nitrobenzenes Nitrotoluenes o-Xylenes N-arylamides Nitroaromatic compounds Fatty acid esters 1,2-dithiolanes Carboxylic acid esters Secondary carboxylic acid amides Organic disulfides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxides Organic salts Hydrocarbon derivatives Carbonyl compounds Organic cations
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