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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzoic acid esters
- Level 6 p-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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 - p-Hydroxybenzoic acid esters
Direct Parent
p-Hydroxybenzoic acid alkyl esters
Alternative Parents
m-Hydroxybenzoic acid esters Hydroxybenzoic acid derivatives Alpha amino acids and derivatives Catechols Benzoyl derivatives Penems Thiazolecarboxylic acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous thioesters Tertiary carboxylic acid amides Thiazolines Tertiary amines Secondary alcohols Carboxylic acid salts Amino acids Azetidines Carboxylic acid esters Thioenol ethers Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Hydrocarbon derivatives Carbonyl compounds Organic oxides
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