Compound Identification
SMILES
CCCC1=C(OCCCOC2=CC=C(C=C2)C(=O)C(O)=O)C=CC(C(=O)OC)=C1O
InChIKey
InChIKey=JTALLWMQDHHOKK-UHFFFAOYSA-N
Formula
C22H24O8
Mass
416.426
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 o-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
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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
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives Phenylpropanes Aryl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Alpha-keto acids and derivatives Methyl esters Alpha-hydroxy ketones Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Keto acid - Alpha-keto acid - Alpha-hydroxy ketone - Vinylogous acid - Methyl ester - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available