Compound Identification
SMILES
CCCC1=C(OCC(O)CSCC2COC(CCC(O)=O)(CCC(O)=O)S2)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=XGWZPTLTYCRRLJ-UHFFFAOYSA-N
Formula
C24H34O9S2
Mass
530.65
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 Monothioketals Alkyl aryl ethers Hydroxy fatty acids Heterocyclic fatty acids 1-hydroxy-4-unsubstituted benzenoids Thia fatty acids Dicarboxylic acids and derivatives Oxathiolanes Vinylogous acids Secondary alcohols Oxacyclic compounds Dialkylthioethers Carboxylic acids Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Acetophenone - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Aryl alkyl ketone - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Thia fatty acid - Monothioketal - Heterocyclic fatty acid - Hydroxy fatty acid - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acid - Vinylogous acid - Monothioacetal - Oxathiolane - Secondary alcohol - Thioether - Sulfenyl compound - Dialkylthioether - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Alcohol - Organic oxide - Organosulfur compound - 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