Compound Identification
SMILES
[Na+].[Na+].CCN(N=NC1=C(Cl)C=CC(Cl)=C1)C1=C(C=C(C=C1)S([O-])(=O)=O)C([O-])=O
InChIKey
InChIKey=HPAHQHIUDBDAPG-UHFFFAOYSA-L
Formula
C15H11Cl2N3Na2O5S
Mass
462.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
-
Level 5
Sulfobenzoic acids
- Level 6 3-sulfobenzoic acids
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Level 5
Sulfobenzoic acids
-
Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Sulfobenzoic acids
Direct Parent
3-sulfobenzoic acids
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Phenylhydrazines Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous amides Sulfonyls Organosulfonic acids Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic metal halides Organooxygen compounds Organic oxides Organic sodium salts Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-sulfobenzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzoyl - 1,4-dichlorobenzene - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Organosulfonic acid or derivatives - Vinylogous amide - Organosulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Carboxylic acid salt - Organic metal halide - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organic salt - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organic sodium salt - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 3-position of the benzene group.
External Descriptors
Not available