Compound Identification
SMILES
[Na].CCCC1=C(OCCCSC2=CC=C(C=C2)C(O)C(C)(C)CC(O)=O)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=MZZSKICGAWISQY-UHFFFAOYSA-N
Formula
C26H34NaO6S
Mass
497.6
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
Phenylpropanes Acetophenones Thiophenol ethers Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alkylarylthioethers Vinylogous acids Secondary alcohols Sulfenyl compounds Organic alkali metal salts Monocarboxylic acids and derivatives Carboxylic acids Aromatic alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Acetophenone - Phenoxy compound - Thiophenol ether - Phenol ether - Benzoyl - Aryl alkyl ketone - Aryl thioether - Phenol - Alkylarylthioether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Secondary alcohol - Organic alkali metal salt - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Thioether - Organic oxide - Alcohol - Organosulfur compound - Aromatic alcohol - Hydrocarbon derivative - 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