Compound Identification
SMILES
CCOC(=O)[C@H]1[C@@H](N(C)[C@@H]([C@@H](C(=O)C2=CC=C(Cl)C=C2)S1(=O)=O)C1=CC(=CC=C1)[N+]([O-])=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=WCYQJOVQMKACRB-MFYWSIJSSA-N
Formula
C27H24ClN3O9S
Mass
602.01
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
Phenylthiomorpholines Nitrobenzenes Thiomorpholine carboxylic acids and derivatives Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Aralkylamines Chlorobenzenes Aryl chlorides Beta-amino ketones Sulfones Carboxylic acid esters Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 3-phenylthiomorpholine - Nitrobenzene - Thiomorpholine-2-carboxylic acid - Benzoyl - Nitroaromatic compound - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Beta-aminoketone - 1,4-thiazinane - Sulfone - Organic nitro compound - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organic zwitterion - Organochloride - Aromatic heteromonocyclic 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