Compound Identification
SMILES
C\C(\C=C\C1=CC(C)(C)COC2=CC(Cl)=C(Cl)C=C12)=C/C(O)=O
InChIKey
InChIKey=UDETXIDFZNYGNM-LJIKRCSCSA-N
Formula
C18H18Cl2O3
Mass
353.24
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
Medium-chain fatty acids Methyl-branched fatty acids Heterocyclic fatty acids Halogenated fatty acids Alkyl aryl ethers Unsaturated fatty acids Benzenoids Aryl chlorides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Medium-chain fatty acid - Alkyl aryl ether - Halogenated fatty acid - Heterocyclic fatty acid - Branched fatty acid - Methyl-branched fatty acid - Aryl chloride - Aryl halide - Fatty acyl - Unsaturated fatty acid - Fatty acid - Benzenoid - Oxacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organochloride - Organooxygen compound - 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