Structure Information
Structure

Compound Identification

SMILES

[Na+].C[C@@H](O)[C@@H]1[C@H]2SC(COC(=O)C3=CC(O)=C(O)C=C3)=C(N2C1=O)C([O-])=O

InChIKey

InChIKey=RUFWHZXNFQOFKE-TYYWJOGXSA-M

Formula

C16H14NNaO8S

Mass

403.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzoic acid esters - p-Hydroxybenzoic acid esters

Direct Parent

p-Hydroxybenzoic acid alkyl esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Alpha-amino acid or derivatives - Benzoyl - Catechol - Penem - Thiazolecarboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous thioester - Beta-lactam - Tertiary carboxylic acid amide - Thiazole - Meta-thiazoline - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Amino acid - Lactam - Secondary alcohol - Tertiary amine - Thioenolether - Hemithioaminal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic alkali metal salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organic sodium salt - Organonitrogen compound - Organic salt - Organic zwitterion - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.

External Descriptors

Not available

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