Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CC[N+]1=C2C=CC(=CC2=C(C)C=C1)S(=O)C(F)(F)F
InChIKey
InChIKey=DIAHERGKYRRUSS-UHFFFAOYSA-M
Formula
C20H20F3NO4S2
Mass
459.5
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
-
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 Quinolines and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Methylpyridines Pyridinium derivatives Heteroaromatic compounds Sulfonyls Organosulfonic acids Trihalomethanes Sulfoxides Azacyclic compounds Sulfinyl compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Quinoline - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Methylpyridine - Pyridine - Pyridinium - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Trihalomethane - Sulfoxide - Organoheterocyclic compound - Azacycle - Sulfinyl compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Halomethane - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen 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