Structure Information
Structure

Compound Identification

SMILES

OC1=C(O)C2=C(C=C1)C=C(C1=CC(Br)=CS1)C(=O)O2

InChIKey

InChIKey=RYADCYDDECPVPB-UHFFFAOYSA-N

Formula

C13H7BrO4S

Mass

339.16

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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

7,8-dihydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7,8-dihydroxycoumarin - 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Thiophene - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7,8-dihydroxycoumarins. These are coumarins bearing two hydroxyl groups at the C7- and C8-positions of the coumarin skeleton, respectively.

External Descriptors

Not available

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