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
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
Chloroquinolines Butyrophenones Pyrazolopyridines Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Thiocarbonic acid diesters Pyridines and derivatives Aryl chlorides Beta-hydroxy ketones Pyrazoles Oxolanes 1,3-dioxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
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