Compound Identification
SMILES
COC1=CC(O)=C(C=C1)C(=O)OCC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(C)=C1
InChIKey
InChIKey=KULFWNXZGFVILU-CQSZACIVSA-N
Formula
C20H23NO7S
Mass
421.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
P-methoxybenzoic acids and derivatives
Alternative Parents
o-Hydroxybenzoic acid esters Salicylic acid and derivatives Methoxyphenols Anisoles Aryl alkyl ketones Phenoxy compounds Benzoyl derivatives Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Vinylogous amides Sulfones Thiolanes Vinylogous acids Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - P-methoxybenzoic acid or derivatives - Salicylic acid or derivatives - Benzoate ester - Methoxyphenol - Aryl ketone - Phenoxy compound - Aryl alkyl ketone - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Vinylogous acid - Thiolane - Sulfone - Ketone - Carboxylic acid ester - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available