Compound Identification
SMILES
COC(=O)C1=CC2=C(SC3=C(S2)C=C(C(=O)OC)C(Cl)=C3)C=C1Cl
InChIKey
InChIKey=HKOYNPDJPBUCRY-UHFFFAOYSA-N
Formula
C16H10Cl2O4S2
Mass
401.27
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodithiins
-
Subclass
1,4-benzodithiins
- Level 5 Thianthrenes
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Subclass
1,4-benzodithiins
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Class
Benzodithiins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodithiins
Subclass
1,4-benzodithiins
Intermediate Tree Nodes
Not available
Direct Parent
Thianthrenes
Alternative Parents
Diarylthioethers 2-halobenzoic acids and derivatives Aryl chlorides Vinylogous halides Methyl esters Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thianthrene - Diarylthioether - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aryl thioether - Aryl chloride - Aryl halide - Benzenoid - Vinylogous halide - Methyl ester - Carboxylic acid ester - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thianthrenes. These are organic compounds containing a thianthrene moiety. Thianthrene is a tricyclic ring system that consists of two benzene rings fused to each other through a 1,4-dithiin ring.
External Descriptors
Not available