Compound Identification
SMILES
[Zr++].CC(C)O.CC(C)O.CCC(C(C)=O)(C([O-])=O)C(F)(F)F.CCC(C(C)=O)(C([O-])=O)C(F)(F)F
InChIKey
InChIKey=SWOZCRXELCACOU-UHFFFAOYSA-L
Formula
C20H32F6O8Zr
Mass
605.682
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Halogenated fatty acids
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Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Halogenated fatty acids
Alternative Parents
Short-chain keto acids and derivatives Branched fatty acids Beta-keto acids and derivatives Secondary alcohols Ketones Carboxylic acid salts Organic transition metal salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Not available
Substituents
Beta-keto acid - Branched fatty acid - Short-chain keto acid - Halogenated fatty acid - Keto acid - Carboxylic acid salt - Secondary alcohol - Ketone - Organic metal halide - Carboxylic acid derivative - Organic transition metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
External Descriptors
Not available