Compound Identification
SMILES
[Na+].[Na+].CC1=C(OCCCC([O-])=O)C=CC(Cl)=C1.[O-]C(=O)CCCOC1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=NEKNNCABDXGBEN-UHFFFAOYSA-L
Formula
C21H21Cl3Na2O6
Mass
521.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
-
Level 5
Chlorobenzenes
- Level 6 Dichlorobenzenes
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Level 5
Chlorobenzenes
-
Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Chlorobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Aryl chlorides Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Toluene - Aryl chloride - Aryl halide - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organooxygen compound - Organic sodium salt - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors
Not available