Compound Identification
SMILES
[Cl-].CC[NH+](CC)C(C)(CC)OC(=O)C1=CC(I)=C(F)C=C1
InChIKey
InChIKey=XMUOWIDMTKWPCZ-UHFFFAOYSA-N
Formula
C15H22ClFINO2
Mass
429.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Iodobenzenes Aryl iodides Aryl fluorides Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Organoiodides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Iodobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organoiodide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available