Compound Identification
SMILES
CCN(N=NC1=C(Cl)C=CC(Cl)=C1)C1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O
InChIKey
InChIKey=VDQDUWNLKBRASU-UHFFFAOYSA-N
Formula
C15H13Cl2N3O5S
Mass
418.25
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 acids Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-sulfobenzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1,4-dichlorobenzene - Benzoyl - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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