Compound Identification
SMILES
BrCCCCCCCC(=O)OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=ZCMRXHVFPKXEKY-UHFFFAOYSA-N
Formula
C22H25BrO3
Mass
417.343
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Benzoins
Intermediate Tree Nodes
Not available
Direct Parent
Benzoins
Alternative Parents
Alkyl-phenylketones Benzyloxycarbonyls Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Alpha-acyloxy ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoin - Alkyl-phenylketone - Benzyloxycarbonyl - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Alpha-acyloxy ketone - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Alkyl bromide - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups.
External Descriptors
Not available