Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC1=C(Cl)C=C2C(C)=CC(=O)OC2=C1
InChIKey
InChIKey=ZSAZMOWHSHGODO-UHFFFAOYSA-N
Formula
C20H18ClNO6S
Mass
435.88
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
P-toluenesulfonamides Beta amino acids and derivatives 1-benzopyrans Benzenesulfonamides Benzenesulfonyl compounds Pyranones and derivatives Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - P-toluenesulfonamide - Coumarin - Benzenesulfonamide - Benzopyran - Tosyl compound - 1-benzopyran - Benzenesulfonyl group - Pyranone - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - 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