Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)OC1=C(SC2=C1C(=O)N(C(=S)N2C1=CC=CC=C1)C1=CC=CC=C1)C#N

InChIKey

InChIKey=JGRPSOMIIXVADB-UHFFFAOYSA-N

Formula

C29H21N3O6S2

Mass

571.62

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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

Direct Parent

Gallic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Thienopyrimidine - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Pyrimidinethione - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Thiophene - Thiourea - Carboxylic acid ester - Lactam - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.

External Descriptors

Not available

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