Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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