Compound Identification
SMILES
Cl.[O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC)CC(O)CCl
InChIKey
InChIKey=NXKNDAWPUAWVSB-UHFFFAOYSA-M
Formula
C16H27Cl2NO3
Mass
352.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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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 acids
Alternative Parents
Benzoyl derivatives Tetraalkylammonium salts Secondary alcohols Chlorohydrins Carboxylic acid salts 1,2-aminoalcohols Carboxylic acids Organochlorides Organic zwitterions Organic oxides Organic chloride salts Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Not available
Substituents
Benzoic acid - Benzoyl - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Carboxylic acid salt - Chlorohydrin - Secondary alcohol - Halohydrin - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organic zwitterion - Hydrochloride - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available