Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)N=C1N(N=C(C)C1=C2Cl)[C@@H]1O[C@H](C(O)CC(=O)C2=CC=CC=C2)[C@H]2OC(=S)O[C@@H]12

InChIKey

InChIKey=JLTMMDIABGOYDV-BAUGYMSNSA-N

Formula

C26H22ClN3O6S

Mass

539.99

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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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Haloquinoline - Chloroquinoline - Quinoline - Pyrazolopyridine - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Aryl chloride - Benzenoid - Thiocarbonic acid diester - Aryl halide - Monocyclic benzene moiety - Pyridine - Beta-hydroxy ketone - Heteroaromatic compound - Meta-dioxolane - Azole - Oxolane - Pyrazole - Secondary alcohol - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic 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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