Compound Identification
SMILES
ClC1=CC(Cl)=C(OS(=O)(=O)C2=CC=CC=C2)C(CBr)=C1
InChIKey
InChIKey=QAEAWRIHOUCEPG-UHFFFAOYSA-N
Formula
C13H9BrCl2O3S
Mass
396.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Dichlorobenzenes Benzyl bromides Organosulfonic acid esters Aryl chlorides Sulfonyls Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - 1,3-dichlorobenzene - Benzyl bromide - Benzyl halide - Chlorobenzene - Halobenzene - Organosulfonic acid ester - Aryl chloride - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Organic oxide - Alkyl bromide - Organic oxygen compound - Organochloride - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available