Compound Identification
SMILES
FC1=C(NC(=O)COC(=O)CCCC[C@H]2CCSS2)C=C(Cl)C=C1
InChIKey
InChIKey=BHIHCYQVPAWIPX-LBPRGKRZSA-N
Formula
C16H19ClFNO3S2
Mass
391.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dithiolanes
- Subclass Lipoic acids and derivatives
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Class
Dithiolanes
-
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 N-arylamides Chlorobenzenes Fatty acid esters Fluorobenzenes Aryl chlorides Aryl fluorides 1,2-dithiolanes Secondary carboxylic acid amides Carboxylic acid esters Organic disulfides Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Lipoic_acid_derivative - Anilide - N-arylamide - Chlorobenzene - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,2-dithiolane - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organic disulfide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organochloride - Organic oxide - Organohalogen compound - 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