Compound Identification
SMILES
CCC(CCC(C(O)=O)S(=O)(=O)C1=CC=C(C)C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=PICNTMAPLOWJKX-UHFFFAOYSA-N
Formula
C20H23ClO4S
Mass
394.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Tosyl compounds
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Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Tosyl compounds
Alternative Parents
Phenylpropanes Benzenesulfonyl compounds Medium-chain fatty acids Thia fatty acids Methyl-branched fatty acids Halogenated fatty acids Chlorobenzenes Aryl chlorides Sulfones Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tosyl compound - Phenylpropane - Benzenesulfonyl group - Medium-chain fatty acid - Branched fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Thia fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Aryl chloride - Aryl halide - Sulfonyl - Sulfone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
External Descriptors
Not available