Compound Identification
SMILES
CC(C)(CCCCOC1=C(F)C(O)=C(C(O)=O)C(F)=C1F)C#N
InChIKey
InChIKey=IXERRLGRQBXEKG-UHFFFAOYSA-N
Formula
C15H16F3NO4
Mass
331.291
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
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Level 6
Salicylic acid and derivatives
- Level 7 Salicylic acids
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Level 6
Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
-
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
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent
Salicylic acids
Alternative Parents
2-halobenzoic acids 3-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Benzoyl derivatives Phenol ethers M-fluorophenols O-fluorophenols P-fluorophenols Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous halides Vinylogous acids Nitriles Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Salicylic acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - 2-fluorophenol - 1-carboxy-2-haloaromatic compound - Phenol ether - 4-fluorophenol - 3-fluorophenol - 2-halophenol - 3-halophenol - 4-halophenol - Benzoyl - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Phenol - Aryl halide - Aryl fluoride - Vinylogous halide - Vinylogous acid - Nitrile - Carbonitrile - Carboxylic acid derivative - Carboxylic acid - Ether - Organohalogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
External Descriptors
Not available