Structure Information
Structure

Compound Identification

SMILES

CC#CCC(C)C(=O)C(Br)=C[C@H]1[C@@H](C[C@@H]2CC3(C[C@H]12)OCCO3)OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=JZUXTCQPIJGIRB-ITDWRWERSA-N

Formula

C26H29BrO5

Mass

501.417

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Benzoyl - Ketal - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Alpha,beta-unsaturated ketone - Meta-dioxolane - Alpha-haloketone - Enone - Carboxylic acid ester - Ketone - Oxacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organobromide - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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