Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C2=C(OC1=O)C=C(OS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F)C=C2

InChIKey

InChIKey=JKYVNDGSYIADSX-UHFFFAOYSA-N

Formula

C18H13F3O7S2

Mass

462.41

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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

Benzenesulfonate ester - Coumarin - Benzopyran - Benzenesulfonate - 1-benzopyran - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Pyranone - Monocyclic benzene moiety - Pyran - Organosulfonic acid ester - Benzenoid - Heteroaromatic compound - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Lactone - Trihalomethane - Oxacycle - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Halomethane - 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

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