Compound Identification
SMILES
CCCCCCCCCCCCC1=CC=C(CSC2=CC(=O)C(OC)=C(OC)C2=O)C=C1
InChIKey
InChIKey=WUXHWQKRLVQCRS-UHFFFAOYSA-N
Formula
C27H38O4S
Mass
458.66
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
Quinones
-
Level 8
Benzoquinones
- Level 9 P-benzoquinones
-
Level 8
Benzoquinones
-
Level 7
Quinones
-
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 - Quinones - Benzoquinones
Direct Parent
P-benzoquinones
Alternative Parents
Vinylogous thioesters Benzene and substituted derivatives Vinylogous esters Thioenol ethers Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-benzoquinone - Vinylogous thioester - Benzenoid - Monocyclic benzene moiety - Vinylogous ester - Thioenolether - Sulfenyl compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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