Compound Identification
SMILES
CC1=NC(S\C1=C(\NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)/C=C/C1=CC2=C(OCO2)C=C1)=NC1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=UTZBARNQTDJTQF-VZVFXXCTSA-N
Formula
C26H18Cl2N6O6S
Mass
613.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Nitrobenzenes Styrenes Phenylhydrazines Dichlorobenzenes Nitroaromatic compounds Aryl chlorides Thiazolines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives Organic salts Organic zwitterions Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - Phenylhydrazine - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Meta-thiazoline - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Acetal - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrazine derivative - Organic oxygen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available