Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(=C)C(=O)C1=CC=CC=C1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=OEMSHKOIHTZWDM-UHFFFAOYSA-N

Formula

C23H20BrNO3S

Mass

470.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retro-dihydrochalcones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Retro-dihydrochalcone - P-toluenesulfonamide - Butyrophenone - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Alpha,beta-unsaturated ketone - Sulfonyl - Acryloyl-group - Organosulfonic acid or derivatives - Enone - Organic sulfonic acid or derivatives - Ketone - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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