Compound Identification
SMILES
CC(=O)OC1=C(C(=O)C(OC(C)=O)=C(C1=O)C1=C(C)C(Br)=C(C)C=C1C)C1=C(C)C(Br)=C(C)C=C1C
InChIKey
InChIKey=NDQQMXYWHCFJHA-UHFFFAOYSA-N
Formula
C28H26Br2O6
Mass
618.318
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
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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
Bromobenzenes Dicarboxylic acids and derivatives Aryl bromides Enol esters Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-benzoquinone - Bromobenzene - Halobenzene - Aryl bromide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Benzenoid - Enol ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Organobromide - Organohalogen compound - Hydrocarbon derivative - 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