Compound Identification
SMILES
OC(=O)CCC(CCC(O)=O)(C#N)S(=O)(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=LDBNAVPGDFJTLO-UHFFFAOYSA-N
Formula
C14H14ClNO6S
Mass
359.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzenesulfonyl compounds
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonyl compounds
Alternative Parents
Medium-chain fatty acids Thia fatty acids Halogenated fatty acids Chlorobenzenes Branched fatty acids Dicarboxylic acids and derivatives Aryl chlorides Sulfones Nitriles Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonyl group - Medium-chain fatty acid - Branched fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Thia fatty acid - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Sulfonyl - Sulfone - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Carbonyl group - Organohalogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
External Descriptors
Not available