Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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