Compound Identification
SMILES
COC1=CC(OC)=C(C=C1)C(=O)CSC1=NN=C(O1)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=ABPXWDWZVQOWJL-UHFFFAOYSA-N
Formula
C20H20N2O6S
Mass
416.45
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
Dimethoxybenzenes Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds 1,3,4-oxadiazoles Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - M-dimethoxybenzene - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Aryl thioether - Methoxybenzene - Benzoyl - Anisole - Alkylarylthioether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxadiazole - 1,3,4-oxadiazole - Heteroaromatic compound - Azole - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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