Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C(Cl)C=C2SC(=S)N(CCOC(=O)CCN3C(=S)SC(=CC4=CC=CC=C4)C3=O)C2=O)C=C1
InChIKey
InChIKey=RMCFDEBHSAKZIS-UHFFFAOYSA-N
Formula
C27H20ClN3O6S4
Mass
646.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
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 Thiazolidinethiones Cyclic dithiocarbamic acid esters Carboxylic acid esters Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Chloroalkenes Organic oxoazanium compounds Monocarboxylic acids and derivatives Organosulfur compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Vinyl chloride - Vinyl halide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Haloalkene - Chloroalkene - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - 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