Compound Identification
SMILES
[Fe+3].[H]\C(=C(\[H])/C(/C)=C(\[H])[C@@]([H])(C)C(=O)C1=CC=C(C=C1)N(C)C)C([O-])=NO.[H]\C(=C(\[H])/C(/C)=C(\[H])[C@@]([H])(C)C(=O)C1=CC=C(C=C1)N(C)C)C([O-])=NO.[H]\C(=C(\[H])C([O-])=[NH+]O)\C(\C)=C(/[H])[C@@]([H])(C)C(=[OH+])C1=CC=C(C=C1)[NH+](C)C
InChIKey
InChIKey=NSXKWZDPUJDCKX-KZKGWZQBSA-N
Formula
C51H66FeN6O9
Mass
962.965
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl 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 - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylpropanes Phenylalkylamines Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Organic transition metal salts Carboximidic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Phenylpropane - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Phenylalkylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Carboximidic acid derivative - Carboximidic acid - Organic transition metal salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available