Compound Identification
SMILES
COC1=CC2=C(OCC(C)(C)C=C2\C=C\C(\C)=C\C(O)=O)C=C1
InChIKey
InChIKey=FVGXANXBVWECQE-BYWGDBCOSA-N
Formula
C19H22O4
Mass
314.381
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 Anisoles Methyl-branched fatty acids Heterocyclic fatty acids Alkyl aryl ethers Unsaturated fatty acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Anisole - Medium-chain fatty acid - Alkyl aryl ether - Methyl-branched fatty acid - Branched fatty acid - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - 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