Compound Identification
SMILES
CCOC=C(C(C)=O)S(=O)(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KKJFBPCKVYIRGR-UHFFFAOYSA-N
Formula
C12H13ClO4S
Mass
288.74
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
Chlorobenzenes Aryl chlorides Alpha-branched alpha,beta-unsaturated ketones Vinylogous esters Sulfones Enones Acryloyl compounds Ketones Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Alpha-branched alpha,beta-unsaturated-ketone - Alpha,beta-unsaturated ketone - Sulfonyl - Sulfone - Enone - Acryloyl-group - Vinylogous ester - Ketone - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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