Compound Identification
SMILES
CC1=CC=C(S[C@@H](CC(=O)C2=CC=C(C)C=C2)C([O-])=O)C=C1
InChIKey
InChIKey=IEIVEWHOYWOARU-KRWDZBQOSA-M
Formula
C18H17O3S
Mass
313.39
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
Butyrophenones Thiophenol ethers Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Toluenes Thia fatty acids Alkylarylthioethers Carboxylic acid salts Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Aryl thioether - Benzoyl - Aryl alkyl ketone - Thiophenol ether - Gamma-keto acid - Alkylarylthioether - Toluene - Thia fatty acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - Carboxylic acid salt - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organic anion - 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