Compound Identification
SMILES
COC1=C(C=CC(\C(=N\OS(=O)(=O)C2=CC=C(C)C=C2)C(F)(F)F)=C1C(C)C)C(C)C
InChIKey
InChIKey=FNASDHMAAHLXFV-QLYXXIJNSA-N
Formula
C22H26F3NO4S
Mass
457.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
-
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 Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Cumenes Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Sulfonyls Organofluorides Organonitrogen compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-methylbenzenesulfonate - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Tosyl compound - Arylsulfonic acid or derivatives - Cumene - Phenylpropane - Benzenesulfonyl group - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Toluene - Alkyl aryl ether - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Alkyl halide - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic 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