Compound Identification
SMILES
COC1=C(OC)C(OC(=O)C2=CC=C(F)C=C2)=C2C(=C1)[C@H]1C=C[C@](OC)(ON1C1=CC=CC=C1)C2=O
InChIKey
InChIKey=CAVDPAPLOQQKDJ-HRFSGMKKSA-N
Formula
C27H22FNO7
Mass
491.471
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
Phenol esters 4-halobenzoic acids and derivatives 1-hydroxylamino, 2-unsubstituted benzenoids 1-hydroxylamino, 4-unsubstituted benzenoids Anisoles Aryl alkyl ketones Benzoyl derivatives N-phenylhydroxylamines Fluorobenzenes Alkyl aryl ethers Aryl fluorides Carboxylic acid esters Oxacyclic compounds Azacyclic compounds N-organohydroxylamines Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Phenol ether - N-phenylhydroxylamine - 1-hydroxylamino, 4-unsubstituted benzenoid - Aryl ketone - Aryl alkyl ketone - Anisole - 1-hydroxylamino, 2-unsubstituted benzenoid - Benzoyl - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Carboxylic acid ester - Ketone - Organoheterocyclic compound - N-organohydroxylamine - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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