Compound Identification
SMILES
CC1=C(Cl)C=C(C=C1N\N=C1/C=CC(=O)C2=CC=CC=C12)S(O)(=O)=O
InChIKey
InChIKey=UNJSNVZWBDFLNH-XDJHFCHBSA-N
Formula
C17H13ClN2O4S
Mass
376.81
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
Naphthalenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenylhydrazines Aryl ketones Toluenes Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Hydrazones Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
P-methylbenzenesulfonate - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenylhydrazine - Aryl ketone - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Hydrazone - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic homopolycyclic 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