Compound Identification
SMILES
C1C(C=C(OC11OCCCCO1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=NLYAJFYCDIEUKP-UHFFFAOYSA-N
Formula
C21H22O3
Mass
322.404
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepanes
- Subclass 1,3-dioxepanes
-
Class
Dioxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepanes
Subclass
1,3-dioxepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dioxepanes
Alternative Parents
Ortho esters Carboxylic acid orthoesters Benzene and substituted derivatives Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ortho ester - Carboxylic acid orthoester - 1,3-dioxepane - Benzenoid - Monocyclic benzene moiety - Orthocarboxylic acid derivative - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 3, respectively.
External Descriptors
Not available