Compound Identification
SMILES
[O-]C1=C(C(=O)C=CC2=CC=C(Br)C=C2)C(=O)C2=CC=CC=C12
InChIKey
InChIKey=MRMBVOJGMKTRLY-UHFFFAOYSA-M
Formula
C18H10BrO3
Mass
354.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Indenes and isoindenes Styrenes Aryl ketones Bromobenzenes Aryl bromides Vinylogous acids Enones Acryloyl compounds Organobromides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid or derivatives - Indene - Aryl ketone - Styrene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Ketone - Organic oxygen compound - Organic oxide - Organohalogen compound - Organobromide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic anion - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available