Compound Identification
SMILES
CC(=O)C1=C(C)C=C(OCC2CN(CCO2)S(=O)(=O)C2=CC=CS2)C=C1
InChIKey
InChIKey=NECYRAGPSKXBQK-UHFFFAOYSA-N
Formula
C18H21NO5S2
Mass
395.49
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
Acetophenones Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Toluenes Organosulfonamides Morpholines Heteroaromatic compounds Sulfonyls Thiophenes Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Toluene - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Morpholine - Oxazinane - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Thiophene - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - 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