Compound Identification
SMILES
CC1=CC(C)=C(C(C)=C1)S(O)(=O)=O.NC(=N)SCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=DOCXRSYGGUYZDP-UHFFFAOYSA-N
Formula
C18H22N2O4S2
Mass
394.5
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
p-Methylbenzenesulfonates Benzenesulfonyl compounds Arylsulfonic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Sulfonyls Organosulfonic acids Isothioureas Sulfenyl compounds Carboximidamides Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - P-methylbenzenesulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Imine - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic 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