Compound Identification
SMILES
[Na+].CC1=C(Cl)C=C(C=C1N\N=C1\C=CC(=O)C2=CC=CC=C12)S([O-])(=O)=O
InChIKey
InChIKey=NHDSLNQUBNUHHM-HVENRQQKSA-M
Formula
C17H12ClN2NaO4S
Mass
398.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
-
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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenylhydrazines Aryl ketones Toluenes Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Organic metal halides Hydrazones Organochlorides Organic oxides Organic sodium salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
P-methylbenzenesulfonate - Naphthalene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Aryl ketone - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Organic metal halide - Hydrazone - Organic alkali metal salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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