Compound Identification
SMILES
CCCCCCCCCCCCOCC(O)COC1=CC(=O)\C(C=C1)=C1\NN(C=C(N1)C1=C(C)C=C(C)C=C1)C1=C(C)C=C(C)C=C1
InChIKey
InChIKey=AICRGSRCEPSGBJ-CHJNDSEFSA-N
Formula
C40H55N3O4
Mass
641.897
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
m-Xylenes Glycerol ethers 1,2,4-triazines Vinylogous esters Vinylogous amides Secondary alcohols Ketene acetals Enamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - M-xylene - Xylene - Glycerol ether - Glycerolipid - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Vinylogous amide - Vinylogous ester - Ketene acetal or derivatives - Secondary alcohol - Azacycle - Organoheterocyclic compound - Dialkyl ether - Enamine - Ether - Hydrazine derivative - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Amine - Aromatic heteromonocyclic 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