Compound Identification
SMILES
CC1=CC(C)=C(C(C)=C1)S(O)(=O)=[OH+].N[S+]1CC2=NC3=CC=CC=C3N2C1C1=C(F)C=CC=C1F
InChIKey
InChIKey=UOUDNCQCVNXKHQ-UHFFFAOYSA-O
Formula
C24H25F2N3O3S2
Mass
505.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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 Benzimidazoles Fluorobenzenes Aryl fluorides N-substituted imidazoles Sulfonyls Heteroaromatic compounds Organosulfonic acids Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides Organofluorides Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Arylsulfonic acid or derivatives - Benzimidazole - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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