Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC1=CC(=CC(OC)=C1OC)C(=O)OCC[NH2+]C(N)=N

InChIKey

InChIKey=FLWLRYGIPPBOTH-UHFFFAOYSA-N

Formula

C13H20ClN3O5

Mass

333.77

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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 homomonocyclic compounds

Substituents

Gallic acid or derivatives - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Benzoate ester - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxylic acid ester - Guanidine - Carboxylic acid derivative - Ether - Carboximidamide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Imine - Organonitrogen compound - Organooxygen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic 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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