Compound Identification
SMILES
[O-]C(=O)\C=C\C([O-])=O.CCCC[NH2+]CC(O)COC1=C(COCCC)C=C(C=C1)C(=O)CC.CCCC[NH2+]CC(O)COC1=C(COCCC)C=C(C=C1)C(=O)CC
InChIKey
InChIKey=JUNWAFYKQGQUHN-WXXKFALUSA-N
Formula
C44H70N2O12
Mass
819.046
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
Benzylethers Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Dicarboxylic acids and derivatives Unsaturated fatty acids Quaternary ammonium salts Carboxylic acid salts 1,2-aminoalcohols Secondary alcohols Dialkylamines Dialkyl ethers Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Benzylether - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Unsaturated fatty acid - Benzenoid - Quaternary ammonium salt - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid salt - Ether - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Hydrocarbon derivative - Organic oxide - Amine - Organic zwitterion - Alcohol - Organonitrogen compound - Organic nitrogen compound - 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