Compound Identification
SMILES
BrC1=CC=CC(=C1)C1CC2=C(S1)C(=O)OC1=CC=CC=C21
InChIKey
InChIKey=DJWWATSQMWQLSQ-UHFFFAOYSA-N
Formula
C17H11BrO2S
Mass
359.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Pyranones and derivatives Bromobenzenes Alkylarylthioethers Aryl bromides Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - Bromobenzene - Halobenzene - Pyranone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Pyran - Aryl halide - Aryl bromide - Heteroaromatic compound - Lactone - Thioether - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available