Compound Identification
SMILES
CC1=C(CSC2=CC=CC=C2N=CC2=CC(C=CC2=O)=NNC2=CC(=CC=C2)[N+]([O-])=O)C(C)=C(CSC2=CC=CC=C2N=CC2=CC(C=CC2=O)=NNC2=CC(=CC=C2)[N+]([O-])=O)C(C)=C1CSC1=CC=CC=C1N=CC1=CC(C=CC1=O)=NNC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=YYNKYZTVTCNVDM-UHFFFAOYSA-N
Formula
C69H54N12O9S3
Mass
1291.45
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
Thiophenol ethers Phenylhydrazines Nitroaromatic compounds Alkylarylthioethers Shiff bases Cyclic ketones Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Phenylhydrazine - Thiophenol ether - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Ketone - C-nitro compound - Shiff base - Cyclic ketone - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hydrazone - Thioether - Organic oxoazanium - Aldimine - Imine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic 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