Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC1COC2=C(O1)C=CC=C2Cl
InChIKey
InChIKey=PSKRYGLRLBMOEY-UHFFFAOYSA-N
Formula
C16H15ClO5S
Mass
354.8
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
p-Methylbenzenesulfonates Tosyl compounds Benzo-1,4-dioxanes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Alkyl aryl ethers Para dioxins Organosulfonic acid esters Aryl chlorides Sulfonyls Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Benzo-1,4-dioxane - Benzodioxane - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Toluene - Alkyl aryl ether - Aryl halide - Aryl chloride - Organosulfonic acid ester - Para-dioxin - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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