Structure Information
Structure

Compound Identification

SMILES

CC1=CC(COC2=CC=CC=C2C2=NC3=CC=CC=C3S2)=C(O)C(=C1)C(O)=O

InChIKey

InChIKey=SRKMGKMXKKBRIT-UHFFFAOYSA-N

Formula

C22H17NO4S

Mass

391.44

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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

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Salicylic acid - Benzoic acid - 1,3-benzothiazole - Phenoxy compound - Benzoyl - P-cresol - Phenol ether - Alkyl aryl ether - Toluene - Phenol - Azole - Heteroaromatic compound - Vinylogous acid - Thiazole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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

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