Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CCN1\C(S\C(C1=O)=C1\SC2=CC=CC=C2N1C)=C\C1=CC=[N+](C)C=C1
InChIKey
InChIKey=RKFHVHJFGBIRCO-KPJFUTMLSA-M
Formula
C27H27N3O4S3
Mass
553.71
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 N-methylpyridinium compounds Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Sulfonyls Thiazoles Organosulfonic acids Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzo-thiazole - Benzenesulfonyl group - 1,2-benzothiazole - 1,3-benzothiazole - 1-sulfo,2-unsubstituted aromatic compound - Aryl thioether - N-methylpyridinium - Toluene - Pyridinium - Pyridine - Azole - Vinylogous amide - Heteroaromatic compound - Thiazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur 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