Compound Identification
SMILES
CC1CN\C(S1)=C1\C=CC(=O)C(O)=C1O
InChIKey
InChIKey=ABESAACCWPXPNU-UXBLZVDNSA-N
Formula
C10H11NO3S
Mass
225.26
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
Quinomethanes
- Level 8 P-quinomethanes
-
Level 7
Quinomethanes
-
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 - Quinomethanes
Direct Parent
P-quinomethanes
Alternative Parents
Vinylogous acids Thiazolidines Ketene acetals Enediols Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
P-quinomethane - Vinylogous acid - Thiazolidine - Ketene acetal or derivatives - Enediol - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available