Compound Identification
SMILES
OC(=O)CCCCC(Cl)(Cl)[N+]([O-])=O
InChIKey
InChIKey=QAIUBOHXJJKWKY-UHFFFAOYSA-N
Formula
C6H9Cl2NO4
Mass
230.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Nitro 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
Nitro fatty acids
Alternative Parents
Medium-chain fatty acids Halogenated fatty acids Straight chain fatty acids C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Alkyl chlorides Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Carbonyl compounds Organonitrogen compounds Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Nitro fatty acid - Medium-chain fatty acid - Halogenated fatty acid - Straight chain fatty acid - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Carbonyl group - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Organic salt - Alkyl chloride - Organic nitrogen compound - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as nitro fatty acids. These are fatty acids containing a nitro group.
External Descriptors
Not available