Structure Information
Structure

Compound Identification

SMILES

CC1=C(Cl)C(=O)OC2=CC3=C(OCC=C3)C=C12

InChIKey

InChIKey=SXDGEXLTYMBWND-UHFFFAOYSA-N

Formula

C13H9ClO3

Mass

248.66

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Pyranocoumarins

Intermediate Tree Nodes

Not available

Direct Parent

Linear pyranocoumarins

Alternative Parents

Pyranochromenes Pyranones and derivatives Alkyl aryl ethers Benzenoids Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear pyranocoumarin - Pyranochromene - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety.

External Descriptors

Not available

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