Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)OCC1(CO)C\C(=C\C2=CC=C(C=C2)C(F)(F)F)C(=O)O1
InChIKey
InChIKey=YBKRMQXNLAPLJH-YBEGLDIGSA-N
Formula
C22H19F3O6
Mass
436.383
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
P-methoxybenzoic acids and derivatives
Alternative Parents
Trifluoromethylbenzenes Benzoic acid esters Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Gamma butyrolactones Enoate esters Oxolanes Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - Trifluoromethylbenzene - Benzoate ester - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Gamma butyrolactone - Oxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available