Compound Identification
SMILES
Cl[Zr]Cl.CC1CCCCC1N\C=C1\C=C(C=C(C)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=GOENJQULYXJXGN-LXGUGECZSA-L
Formula
C21H25Cl2NOZr
Mass
469.56
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
Cyclohexylamines Benzene and substituted derivatives Vinylogous amides Organic transition metal salts Enamines Dialkylamines Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-quinomethane - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Secondary aliphatic amine - Enamine - Allylamine - Organic metal salt - Organic transition metal salt - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - 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