Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CCC1=C(Cl)C=C(N)C(O)=C1Cl
InChIKey
InChIKey=XHCMURUZGCLCNF-UHFFFAOYSA-N
Formula
C15H17Cl2NO4S
Mass
378.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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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
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds o-Aminophenols P-chlorophenols Aniline and substituted anilines O-chlorophenols Dichlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Primary amines
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Aminophenol - 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - 2-chlorophenol - 4-chlorophenol - O-aminophenol - Aniline or substituted anilines - Chlorobenzene - Toluene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Organosulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organic oxide - Organosulfur compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available