Compound Identification
SMILES
OC(=O)C=CC(O)=O.CC(C)NCCC1=C2CC=CC=C2OC2=CC=CC=C2O1
InChIKey
InChIKey=ZSMOPKBTTMGJFK-UHFFFAOYSA-N
Formula
C22H25NO6
Mass
399.443
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepines
- Subclass 1,4-dioxepines
-
Class
Dioxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepines
Subclass
1,4-dioxepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-dioxepines
Alternative Parents
Unsaturated fatty acids Dicarboxylic acids and derivatives Benzenoids Oxacyclic compounds Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
1,4-dioxepine - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Oxacycle - Organonitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-dioxepines. These are dioxepines with the two ring oxygen atoms at position 1 and 4, respectively.
External Descriptors
Not available