Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=C(CC2=C(Cl)C=C3CO[C@]4(S[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)C=C1

InChIKey

InChIKey=ACJOISQULDEJAY-ADAARDCZSA-N

Formula

C21H23ClO5S2

Mass

454.98

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isocoumarans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isocoumaran - Isobenzofuran - Aryl thioether - Thiophenol ether - Alkylarylthioether - Monothioketal - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiane - Monothioacetal - Secondary alcohol - 1,2-diol - Polyol - Sulfenyl compound - Oxacycle - Thioether - Primary alcohol - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.

External Descriptors

Not available

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