Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)CC(=O)CC(=O)C(C#N)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=JANIZMKGYFLLAP-UHFFFAOYSA-N
Formula
C19H16ClNO4S
Mass
389.85
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
Benzenesulfonyl compounds Chlorobenzenes Beta-diketones Aryl chlorides Sulfones Ketones Nitriles Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - Chlorobenzene - Halobenzene - 1,3-diketone - Aryl chloride - Aryl halide - 1,3-dicarbonyl compound - Sulfone - Sulfonyl - Ketone - Nitrile - Carbonitrile - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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