Compound Identification
SMILES
[Na+].CCCC1=C(OCCCSC2=NN=C(SC(C)C([O-])=O)S2)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=KZBHEOUMAMUWNI-UHFFFAOYSA-M
Formula
C19H23N2NaO5S3
Mass
478.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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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 Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alkylarylthioethers Vinylogous acids Thiadiazoles Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives Organic sodium salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenylpropane - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Benzoyl - Aryl thioether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Thiadiazole - Vinylogous acid - Heteroaromatic compound - Azole - Carboxylic acid salt - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Organic salt - Organic zwitterion - Organic sodium salt - 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