Compound Identification
SMILES
C1O[C@@]2(CC3=CC=CC=C3[C@]1(O2)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=PGBINVMKFFOQOL-FGZHOGPDSA-N
Formula
C22H18O2
Mass
314.384
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
2-benzopyrans Ketals Benzene and substituted derivatives 1,3-dioxolanes Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - 2-benzopyran - Isochromane - Benzopyran - Ketal - Benzenoid - Monocyclic benzene moiety - Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available