Compound Identification
SMILES
CCCC1=C(C=CC(SCCCOC2=C(CCC)C(O)=C(C=C2)C(C)=O)=C1)C(=O)CCC(O)=O
InChIKey
InChIKey=CVFOGASALAQMMJ-UHFFFAOYSA-N
Formula
C27H34O6S
Mass
486.62
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 Acetophenones Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Thiophenol ethers Gamma-keto acids and derivatives Phenol ethers Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Carboxylic acids Monocarboxylic acids and derivatives Sulfenyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Acetophenone - Phenylpropane - Phenoxy compound - Aryl thioether - Benzoyl - Gamma-keto acid - Phenol ether - Aryl alkyl ketone - Thiophenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Alkylarylthioether - Phenol - Keto acid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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