Structure Information
Structure

Compound Identification

SMILES

O[C@H](C[C@H](C1=CC=C(Cl)S1)C1=C(O)C2=CC=CC=C2OC1=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=WRGOVNKNTPWHLZ-HZPDHXFCSA-N

Formula

C22H16Cl2O4S

Mass

447.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

4-hydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-hydroxycoumarin - Benzopyran - 1-benzopyran - Chlorobenzene - Halobenzene - Pyranone - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous acid - Secondary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.

External Descriptors

Not available

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