Compound Identification
SMILES
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)=C(O)C=C2)C=C1
InChIKey
InChIKey=JXFSZASGFDIXQT-GJZGRUSLSA-N
Formula
C22H26N2O8S
Mass
478.52
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
-
Level 5
Benzoic acid esters
-
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 Sulfanilides Salicylic acid and derivatives Benzenesulfonyl compounds Methoxyanilines Benzoyl derivatives Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Organosulfonamides Morpholines Aminosulfonyl compounds Vinylogous acids Tertiary carboxylic acid amides Carboxylic acid esters Tertiary amines Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Benzenesulfonamide - Salicylic acid or derivatives - Sulfanilide - Methoxyaniline - Benzenesulfonyl group - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Morpholine - Oxazinane - Organosulfonic acid amide - Vinylogous acid - Aminosulfonyl compound - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Amine - Organic oxygen compound - 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