Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(SCC(=O)OCC2=CC(=O)OC3=CC(C)=C(Cl)C=C23)C=C1

InChIKey

InChIKey=UHBLXIPTUYAVAY-UHFFFAOYSA-N

Formula

C20H17ClO5S

Mass

404.86

Export to:

JSON SDF CSV

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 - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Thiophenol ether - Alkyl aryl ether - Pyranone - Alkylarylthioether - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Ether - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Oxacycle - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - 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

Previous Back Next