Compound Identification
SMILES
Cl.CC1=CC(OCCCO)=CC(OS(=O)(=O)C2=CC=CC=C2C#N)=C1
InChIKey
InChIKey=FMOFIDKMLUNCLT-UHFFFAOYSA-N
Formula
C17H18ClNO5S
Mass
383.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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 Phenoxy compounds Phenol ethers Benzonitriles Toluenes Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Nitriles Primary alcohols Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ether - Carbonitrile - Nitrile - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Cyanide - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Hydrochloride - 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