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=CC=[N+]1CC=C
InChIKey
InChIKey=ZGCYEXPCPJGXFF-KGYDJYTLSA-M
Formula
C29H29N3O4S3
Mass
579.75
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 Pyridinium derivatives Heteroaromatic compounds Vinylogous amides 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-sulfo,2-unsubstituted aromatic compound - 1,3-benzothiazole - Aryl thioether - Toluene - Pyridinium - Pyridine - Heteroaromatic compound - Azole - Thiazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Vinylogous amide - 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