Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(C#CC2=CC=C(Br)C=C2)=C(OCOCCOC)C(=C1)C#CC1=CC=C(Br)C=C1

InChIKey

InChIKey=BJTNALPSOMGJJB-UHFFFAOYSA-N

Formula

C29H24Br2O5

Mass

612.314

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Dialkyl ether - Organobromide - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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