Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCCCCCCCCC(O)=O)C2=C(C=C1)C(NC1=C(Cl)C=NC=C1Cl)=CC(=O)O2

InChIKey

InChIKey=GXUGEYBHRHLJCB-UHFFFAOYSA-N

Formula

C24H26Cl2N2O6

Mass

509.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Polyhalopyridine - Medium-chain fatty acid - Alkyl aryl ether - Aminopyridine - Halogenated fatty acid - Heterocyclic fatty acid - Pyranone - Aryl chloride - Aryl halide - Primary aromatic amine - Fatty acyl - Pyran - Pyridine - Fatty acid - Benzenoid - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Lactone - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organic oxygen compound - Organic oxide - Organochloride - Organic nitrogen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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