Compound Identification
SMILES
OCC1(COC(=O)C2=CC=CC=C2)C\C(=C/C2=CC=C(C=C2)C(F)(F)F)C(=O)O1
InChIKey
InChIKey=XGVYMJWZCHHEQD-MHWRWJLKSA-N
Formula
C21H17F3O5
Mass
406.357
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic 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
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Trifluoromethylbenzenes Benzoyl derivatives Gamma butyrolactones Oxolanes Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Trifluoromethylbenzene - Benzoyl - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Organohalogen compound - Organofluoride - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available