Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC(CCS(=O)(=O)C1=CC=CC=C1)OC1=CC(C(O)=O)=C(O)C=C1

InChIKey

InChIKey=AFCGQTUJNMYRNS-UHFFFAOYSA-N

Formula

C18H18O8S

Mass

394.39

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Salicylic acid - 4-alkoxyphenol - Benzenesulfonyl group - Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Vinylogous acid - Sulfonyl - Sulfone - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

External Descriptors

Not available

Previous Back Next