Structure Information
Structure

Compound Identification

SMILES

COC(=O)NC1=C2CC#CC=CC#CC(O)(CC1=O)C2=CCSSSC

InChIKey

InChIKey=PNQXYYVQKWQRKL-UHFFFAOYSA-N

Formula

C18H17NO4S3

Mass

407.52

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones

Direct Parent

Cyclohexenones

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Cyclohexenone - Ynone - Methylcarbamate - Carbamic acid ester - Tertiary alcohol - Organic trisulfide - Sulfenyl compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

External Descriptors

Not available

Previous Back Next