Compound Identification
SMILES
C[C@@]12COC3=CC=CC=C3[C@@]11OC(=O)C[C@@H]21
InChIKey
InChIKey=VCZZINCJAHYGNG-DRZSPHRISA-N
Formula
C13H12O3
Mass
216.236
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
1-benzopyrans Delta valerolactones Alkyl aryl ethers Oxanes Gamma butyrolactones Benzenoids Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Delta valerolactone - Delta_valerolactone - Benzenoid - Oxane - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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