Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1OC(O[C@@H](CO)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=PQQLSRKJOZHLRK-CEHFSTBQSA-N

Formula

C13H17ClO6

Mass

304.72

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dioxepanes

Subclass

1,3-dioxepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,3-dioxepanes

Alternative Parents

Chlorobenzenes Aryl chlorides Secondary alcohols Oxacyclic compounds Acetals Primary alcohols Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1,3-dioxepane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Oxacycle - Acetal - Organohalogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organochloride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 1,3-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 3, respectively.

External Descriptors

Not available

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