Compound Identification
SMILES
C[C@H](OS(=O)(=O)C1=C(Cl)C(Cl)=C(Cl)C=C1)C(=O)OCC1CCCO1
InChIKey
InChIKey=GJUMFXHAPQBRJK-IENPIDJESA-N
Formula
C14H15Cl3O6S
Mass
417.68
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 Chlorobenzenes Organosulfonic acid esters Aryl chlorides Sulfonyls Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxolane - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic heteromonocyclic 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