Compound Identification
SMILES
CC(=O)OC1=CC(OC(C)=O)=C(C(=O)C(Br)C(Br)C2=CC=CC=C2)C(OC(C)=O)=C1
InChIKey
InChIKey=OKFQTIDXBGGHHK-UHFFFAOYSA-N
Formula
C21H18Br2O7
Mass
542.176
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Alkyl-phenylketones Butyrophenones Phenol esters Tricarboxylic acids and derivatives Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Alpha-haloketones Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - Phenol ester - Phenylketone - Tricarboxylic acid or derivatives - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Alkyl bromide - Organohalogen compound - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available