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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Ynones Tertiary alcohols Organic trisulfides Methylcarbamates Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
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