Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=C(CO)C=C(Cl)C=C1CO
InChIKey
InChIKey=VEHARCKEGPABCH-UHFFFAOYSA-N
Formula
C15H15ClO5S
Mass
342.79
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
p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Benzyl alcohols Chlorobenzenes Organosulfonic acid esters Aryl chlorides Sulfonyls Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzyl alcohol - Chlorobenzene - Halobenzene - Toluene - Organosulfonic acid ester - Aryl chloride - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - Organic oxide - Organic oxygen compound - Organosulfur compound - Primary alcohol - Aromatic alcohol - 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