Compound Identification
SMILES
CCCCCCC(CCCC)COC1=C(C)C(=O)\C(C=C1)=C1\NC(=N\C(N1)=C1\C=CC(OCC(CCCC)CCCCCC)=C(C)C1=O)C1=CC=NN1C
InChIKey
InChIKey=UELXZOMKHDRNMQ-HPCAYFRESA-N
Formula
C45H67N5O4
Mass
742.062
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
Imidolactams 1,3,5-triazines Vinylogous esters Vinylogous amides Pyrazoles Heteroaromatic compounds Ketene acetals Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - 1,3,5-triazine - Triazine - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Vinylogous ester - Vinylogous amide - Ketene acetal or derivatives - Amidine - Carboxylic acid amidine - Azacycle - Organoheterocyclic compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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