Compound Identification
SMILES
CCCC1=C(C)C2=C(OC1=O)C=C(OS(=O)(=O)C1=CC=C(Cl)C=C1)C=C2
InChIKey
InChIKey=YNPIVMJAQMKEDK-UHFFFAOYSA-N
Formula
C19H17ClO5S
Mass
392.85
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
Benzenesulfonate esters 1-benzopyrans Arylsulfonic acids and derivatives Benzenesulfonyl compounds Pyranones and derivatives Chlorobenzenes Aryl chlorides Organosulfonic acid esters Heteroaromatic compounds Sulfonyls Lactones Oxacyclic compounds Hydrocarbon derivatives Organochlorides Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Coumarin - Benzopyran - Benzenesulfonate - 1-benzopyran - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Organosulfonic acid ester - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Lactone - Organoheterocyclic compound - Oxacycle - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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