Compound Identification
SMILES
COC(=O)CSCC1=C(C)C(SCC(=O)OC)=C2C1=C(C)C1(CC1)[C@@](C)(O)C2=O
InChIKey
InChIKey=NGOUGGOSFNTGHB-FQEVSTJZSA-N
Formula
C21H26O6S2
Mass
438.55
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
Vinylogous thioesters Dicarboxylic acids and derivatives Acyloins Tertiary alcohols Methyl esters Thioenol ethers Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cyclohexenone - Acyloin - Dicarboxylic acid or derivatives - Vinylogous thioester - Tertiary alcohol - Methyl ester - Carboxylic acid ester - Thioenolether - Dialkylthioether - Carboxylic acid derivative - Thioether - Sulfenyl compound - Alcohol - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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