Compound Identification
SMILES
OC(C(O)C(O)=O)C(O)=O.CC(C)C[C@H](N)C1(CCC1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=ZGVBAFVARMNSSD-UQKRIMTDSA-N
Formula
C19H28ClNO6
Mass
401.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
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Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Sugar acids and derivatives Short-chain hydroxy acids and derivatives Aralkylamines Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Aryl chlorides Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Secondary alcohols 1,2-diols Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organochlorides Organic oxides
Molecular Framework
Not available
Substituents
Beta-hydroxy acid - Chlorobenzene - Short-chain hydroxy acid - Sugar acid - Aralkylamine - Fatty acid - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Alpha-hydroxy acid - Secondary alcohol - 1,2-diol - Carboxylic acid derivative - Carboxylic acid - Amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organochloride - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available