Compound Identification
SMILES
[O-]S([O-])(=O)=O.NC(N)=C1C=CC=CC1=O
InChIKey
InChIKey=RNRJOGBEHBIEQQ-UHFFFAOYSA-L
Formula
C7H8N2O5S
Mass
232.21
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 O-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
O-quinomethanes
Alternative Parents
Organic sulfate salts Vinylogous amides Organic sulfuric acids and derivatives Ketene acetals Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
O-quinomethane - Organic sulfate salt - Vinylogous amide - Organic sulfuric acid or derivatives - Ketene acetal or derivatives - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic anion - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available