Compound Identification
SMILES
CC1=CC(C)=C(C=C1)C1=NC(NC(N1)=C1C=CC(OCCO)=CC1=O)=C1C=CC(OCCO)=CC1=O
InChIKey
InChIKey=QXTZBPVIUXPPDZ-UHFFFAOYSA-N
Formula
C27H27N3O6
Mass
489.528
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 Imidolactams 1,3,5-triazines Vinylogous esters Vinylogous amides Ketene acetals Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - M-xylene - Xylene - Monocyclic benzene moiety - Triazine - Benzenoid - Imidolactam - 1,3,5-triazine - Vinylogous amide - Vinylogous ester - Ketene acetal or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Amidine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic nitrogen compound - 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