Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CN1\C(SC2=CC=CC=C12)=C\C1=[N+](CC2CCCO2)C(=O)\C(S1)=C1\SC2=C(C=C(Cl)C=C2)N1C
InChIKey
InChIKey=YDHSDTHBNSWLRZ-ADYMNVQMSA-M
Formula
C32H30ClN3O5S4
Mass
700.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
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Class
Benzene and substituted derivatives
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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 Benzothiazoles Aryl thioethers Vinylogous thioesters Aryl chlorides Vinylogous amides Thiazolines Thiazoles Sulfonyls Oxolanes Organosulfonic acids N-acylimines Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Dialkyl ethers Organic oxides Carbonyl compounds Organochlorides Amines Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - 1-sulfo,2-unsubstituted aromatic compound - Aryl thioether - Toluene - Aryl chloride - Aryl halide - Vinylogous thioester - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiazole - Meta-thiazoline - Vinylogous amide - N-acylimine - Ketene acetal or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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