Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(=O)C(SCCCC2=CC=CC=C2)=C(Cl)C1=O

InChIKey

InChIKey=IMZUUIBBWBYOLG-UHFFFAOYSA-N

Formula

C17H17ClO4S

Mass

352.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinones - Benzoquinones

Direct Parent

P-benzoquinones

Alternative Parents

Vinylogous thioesters Benzene and substituted derivatives Vinylogous halides Vinylogous esters Alpha-chloroketones Thioenol ethers Vinyl chlorides Sulfenyl compounds Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

P-benzoquinone - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Vinylogous ester - Vinylogous halide - Alpha-haloketone - Alpha-chloroketone - Thioenolether - Chloroalkene - Haloalkene - Sulfenyl compound - Vinyl halide - Vinyl chloride - Organohalogen compound - Organosulfur compound - Organochloride - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.

External Descriptors

Not available

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