Compound Identification
SMILES
CC1=C(C)C2=C(C=C1)C(COC(=O)CSC1=CC=CC3=C1C(Cl)=CC=C3)=CC(=O)O2
InChIKey
InChIKey=HSJSHSSMXKSYGW-UHFFFAOYSA-N
Formula
C24H19ClO4S
Mass
438.92
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
Chloronaphthalenes 1-benzopyrans Thiophenol ethers Pyranones and derivatives Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Sulfenyl compounds Oxacyclic compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chloronaphthalene - Coumarin - Benzopyran - Naphthalene - 1-benzopyran - Aryl thioether - Thiophenol ether - Pyranone - Alkylarylthioether - Benzenoid - Aryl chloride - Aryl halide - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organooxygen compound - Organosulfur compound - 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