Compound Identification
SMILES
[Mn].COC1=CC=C\C(=C/NC2=CC=C(C)C=C2)C1=O.COC1=CC=C\C(=C/NC2=CC=C(C)C=C2)C1=O.COC1=CC=C\C(=C/NC2=CC=C(C)C=C2)C1=O
InChIKey
InChIKey=LAQQOWMZGPUCHG-KDDVYIQXSA-N
Formula
C45H45MnN3O6
Mass
778.808
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
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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
Aniline and substituted anilines Aminotoluenes Vinylogous amides Organic transition metal salts Enamines Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
O-quinomethane - Aniline or substituted anilines - Aminotoluene - Toluene - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Allylamine - Enamine - Organic transition metal salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Aromatic 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