Compound Identification
SMILES
OCCOCCOC(=O)C1=C(NC2=CC(=C(O)C=C2)C(F)(F)F)C=CC(O)=C1
InChIKey
InChIKey=BBCWGYSUBPNWDU-UHFFFAOYSA-N
Formula
C18H18F3NO6
Mass
401.338
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzoic acid esters
- Level 6 m-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acid esters
Direct Parent
m-Hydroxybenzoic acid esters
Alternative Parents
Trifluoromethylbenzenes Aminobenzoic acids and derivatives p-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Primary aromatic amines Vinylogous amides Carboxylic acid esters Amino acids and derivatives Dialkyl ethers Secondary amines Organic oxides Hydrocarbon derivatives Primary alcohols Alkyl fluorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-hydroxybenzoic acid ester - Trifluoromethylbenzene - Aminobenzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Aminophenol - P-aminophenol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Primary aromatic amine - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Dialkyl ether - Ether - Secondary amine - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is meta-substituted with a hydroxy group.
External Descriptors
Not available