Structure Information
Structure

Compound Identification

SMILES

OC(=O)C([O-])=O.CC[NH+](CCCC(C)Cl)CCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1

InChIKey

InChIKey=URILAFSRXOZGRO-UHFFFAOYSA-N

Formula

C21H32ClNO9

Mass

477.94

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

Direct Parent

Gallic acid and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Dicarboxylic acid or derivatives - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Alkyl halide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Alkyl chloride - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Organic salt - Amine - Hydrocarbon derivative - 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

Previous Back Next