Compound Identification
SMILES
COC(=O)C1=C2C(=C(S1)C(O)=O)C1=CC=CC=C1OC1=C2C=C(Cl)C=C1
InChIKey
InChIKey=OINMDDZVWVFKHK-UHFFFAOYSA-N
Formula
C19H11ClO5S
Mass
386.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxepines
- Subclass Dibenzoxepines
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Class
Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Dibenzoxepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzoxepines
Alternative Parents
Thienobenzoxepines Diarylethers Thiophene carboxylic acids Benzenoids Aryl chlorides Methyl esters Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzoxepine - Thienobenzoxepine - Diaryl ether - Thiophene carboxylic acid or derivatives - Thiophene carboxylic acid - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
External Descriptors
Not available