Structure Information
Structure

Compound Identification

SMILES

C[C@]12COC[C@H](O1)[C@@H](O2)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=GXEWLKLLLCLBRX-SRVKXCTJSA-N

Formula

C12H13ClO3

Mass

240.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dioxepanes

Subclass

1,4-dioxepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,4-dioxepanes

Alternative Parents

Ketals Chlorobenzenes Aryl chlorides 1,4-dioxanes 1,3-dioxolanes Oxacyclic compounds Dialkyl ethers Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,4-dioxepane - Ketal - Chlorobenzene - Halobenzene - Para-dioxane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Ether - Dialkyl ether - Acetal - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively.

External Descriptors

Not available

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