Compound Identification
SMILES
CC(C)C1=CC(C(C)C)=C(C=C1C(C)C)S(=O)(=O)OCC(Cl)(Cl)Cl
InChIKey
InChIKey=VRNPOHOYCLSKSF-UHFFFAOYSA-N
Formula
C17H25Cl3O3S
Mass
415.79
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
Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Cumene - Phenylpropane - Organosulfonic acid ester - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - 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