Compound Identification
SMILES
[Fe++].[O-]S([O-])(=O)=O.ClC1=C\C(=C\NNC2=CC=CC=N2)C(=O)C(Cl)=C1
InChIKey
InChIKey=JQBSGQXJCCROTN-OTMFCZTRSA-L
Formula
C12H9Cl2FeN3O5S
Mass
434.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Pyridines and derivatives Imidolactams Organic sulfate salts Vinylogous amides Alpha-chloroketones Heteroaromatic compounds Organic sulfuric acids and derivatives Vinyl chlorides Azacyclic compounds Chloroalkenes Organic transition metal salts Organic metal halides Hydrocarbon derivatives Organochlorides Hydrazines and derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Pyridine - Imidolactam - Organic sulfate salt - Alpha-haloketone - Alpha-chloroketone - Organic sulfuric acid or derivatives - Heteroaromatic compound - Vinylogous amide - Organic metal halide - Vinyl chloride - Vinyl halide - Azacycle - Organoheterocyclic compound - Haloalkene - Chloroalkene - Organic transition metal salt - Organic nitrogen compound - Hydrazine derivative - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available