Compound Identification
SMILES
CC1=CC(OCCCOS(=O)(=O)C2=C(Cl)C=CC(=C2)C(F)(F)F)=CC=C1
InChIKey
InChIKey=JHLQJWNFYIWSJN-UHFFFAOYSA-N
Formula
C17H16ClF3O4S
Mass
408.82
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
Trifluoromethylbenzenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenol ethers Phenoxy compounds Chlorobenzenes Toluenes Alkyl aryl ethers Organosulfonic acid esters Aryl chlorides Sulfonyls Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Toluene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl halide - Organosulfonic acid ester - Aryl chloride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - 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