Structure Information
Structure

Compound Identification

SMILES

CSC1=CC(C(=O)OCC2=CC(=O)OC3=C2C=CC(C)=C3C)=C(Cl)C=C1

InChIKey

InChIKey=GVIKXPYMSFRKGC-UHFFFAOYSA-N

Formula

C20H17ClO4S

Mass

388.86

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 - M-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzopyran - 1-benzopyran - Benzoate ester - Benzoic acid or derivatives - Aryl thioether - Thiophenol ether - Benzoyl - Alkylarylthioether - Pyranone - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyran - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organochloride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organohalogen 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