Compound Identification
SMILES
CCCC1=C(OCCCSCC2CSC(CCC(O)=O)(CCC(O)=O)S2)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=QQHWJACTJBWMFY-UHFFFAOYSA-N
Formula
C24H34O7S3
Mass
530.71
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 Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Medium-chain fatty acids Phenol ethers Phenoxy compounds Hydroxy fatty acids Heterocyclic fatty acids Dithioketals 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Thia fatty acids Dicarboxylic acids and derivatives Vinylogous acids 1,3-dithiolanes Dialkylthioethers Carboxylic acids Sulfenyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenylpropane - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Aryl alkyl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Thia fatty acid - Hydroxy fatty acid - Dithioketal - Heterocyclic fatty acid - Fatty acyl - Benzenoid - Fatty acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Vinylogous acid - Thioacetal - 1,3-dithiolane - Dithiolane - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organosulfur compound - 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