Compound Identification
SMILES
COC1=CC=C(CCNC(=O)COC(=O)C2=C(O)C=CC(=C2)S(=O)(=O)N2CCCC2)C=C1
InChIKey
InChIKey=NLSHUPCKJKZWDN-UHFFFAOYSA-N
Formula
C22H26N2O7S
Mass
462.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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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
Benzenesulfonamides Salicylic acid and derivatives Benzenesulfonyl compounds Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Organosulfonamides Sulfonyls Vinylogous acids Pyrrolidines Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Methoxybenzene - Phenol ether - Benzoyl - Phenoxy compound - Anisole - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Organosulfonic acid amide - Vinylogous acid - Sulfonyl - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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