Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S([O-])(=O)=O.CN1C(C=CC2=CC=C(C=NN=C(N)N)C=C2)=C[N+]2=CC=CC=C12
InChIKey
InChIKey=IDPLDDGXFVSZDB-UHFFFAOYSA-M
Formula
C32H34N6O6S2
Mass
662.78
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 Imidazo[1,2-a]pyridines Imidazopyridines Styrenes Pyridinium derivatives N-substituted imidazoles Organosulfonic acids Heteroaromatic compounds Sulfonyls Guanidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Imidazo[1,2-a]pyridine - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Imidazopyridine - Styrene - Toluene - Pyridinium - N-substituted imidazole - Pyridine - Imidazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Organic sulfonic acid or derivatives - Guanidine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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