Compound Identification
SMILES
COC(=O)C1=C[N+](C)=C(C)N1N.CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O
InChIKey
InChIKey=SCLQICSBESTXGI-UHFFFAOYSA-M
Formula
C16H23N3O5S
Mass
369.44
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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds 1,2,4-trisubstituted imidazoles 1,2,5-trisubstituted imidazoles Carbonylimidazoles N-substituted imidazoles Vinylogous amides Sulfonyls Organosulfonic acids Heteroaromatic compounds Methyl esters Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1,2,4-trisubstituted-imidazole - 1,2,5-trisubstituted-imidazole - Trisubstituted imidazole - Imidazole-4-carbonyl group - N-substituted imidazole - Vinylogous amide - Imidazole - Methyl ester - Heteroaromatic compound - Azole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic cation - Aromatic heteromonocyclic 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