Compound Identification
SMILES
[Mn++].[O-]C(=O)C1=CC=C\C(=C/NCCCNCCCN\C=C2/C=CC=C(C([O-])=O)C2=O)C1=O
InChIKey
InChIKey=DQQOZFNWEXZRFY-ACJWTMPUSA-L
Formula
C22H23MnN3O6
Mass
480.379
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
-
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
Dicarboxylic acids and derivatives Vinylogous amides Carboxylic acid salts Amino acids Organic transition metal salts Enamines Dialkylamines Carboxylic acids Allylamines Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
O-quinomethane - Dicarboxylic acid or derivatives - Vinylogous amide - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Allylamine - Enamine - Secondary amine - Organic transition metal salt - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic zwitterion - Organic salt - Organic nitrogen compound - Aliphatic 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