Compound Identification
SMILES
CCOC1=NC(=NS1)C(Cl)(Cl)Cl.CNC(=O)ON=CC(C)(C)SC.[O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl
InChIKey
InChIKey=GWRDBJPPNWHLIC-UHFFFAOYSA-N
Formula
C18H19Cl8N5O5S2
Mass
733.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Oxime carbamates Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiadiazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Dialkylthioethers Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Alkyl chlorides Organic cations
Molecular Framework
Not available
Substituents
Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Oxime carbamate - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiadiazole - Organic nitro compound - C-nitro compound - Azacycle - Ether - Organoheterocyclic compound - Dialkylthioether - Organic oxoazanium - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organohalogen compound - Organic salt - Alkyl halide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Alkyl chloride - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available