Compound Identification
SMILES
COC(=O)C1=CC(Cl)=C2OC3=CC(Cl)=C(C(=O)OC)C(Cl)=C3SC2=C1Cl
InChIKey
InChIKey=DMJZAJJAZVZXRP-UHFFFAOYSA-N
Formula
C16H8Cl4O5S
Mass
454.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxathiins
- Subclass Phenoxathiins
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Class
Benzoxathiins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxathiins
Subclass
Phenoxathiins
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxathiins
Alternative Parents
Diarylthioethers Diarylethers 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Oxathiins Aryl chlorides Vinylogous halides Methyl esters Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxathiin - Diaryl ether - Diarylthioether - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Aryl thioether - Aryl chloride - Aryl halide - Benzenoid - 1,4-oxathiin - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Ether - Thioether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxathiins. These are polycyclic aromatic compounds containing a phenoxathiin moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxathiin ring.
External Descriptors
Not available