Compound Identification
SMILES
COC1=CC(=O)C(C(O)=O)C(=O)C1
InChIKey
InChIKey=FOEUQHQQJUFLSI-UHFFFAOYSA-N
Formula
C8H8O5
Mass
184.147
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 M-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
M-benzoquinones
Alternative Parents
Cyclohexenones Beta-diketones Vinylogous esters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
M-benzoquinone - Cyclohexenone - 1,3-diketone - 1,3-dicarbonyl compound - Vinylogous ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 3-position, respectively.
External Descriptors
Not available