Compound Identification
SMILES
COC1=CC2=C(C=C1)C(CSCCBr)=CC(=O)O2
InChIKey
InChIKey=OYKGVZVMWHCQEL-UHFFFAOYSA-N
Formula
C13H13BrO3S
Mass
329.21
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 Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Oxacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Alkyl halide - Alkyl bromide - 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