Compound Identification
SMILES
[Na+].[Na+].[Na+].CC1=NN(C(=O)C1N=NC1=C(C=C(Cl)C(=C1)C([O-])=O)S([O-])(=O)=O)C1=CC=C(C=C1)S(=O)(=O)CCOS([O-])(=O)=O
InChIKey
InChIKey=JVWFJQBGRJXMOM-UHFFFAOYSA-K
Formula
C19H14ClN4Na3O12S3
Mass
690.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
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Level 5
Sulfobenzoic acids
- Level 6 4-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
4-sulfobenzoic acids
Alternative Parents
Halobenzoic acids Alpha amino acids and derivatives 2-halobenzoic acids Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Chlorobenzenes Aryl chlorides Pyrazolones Sulfuric acid monoesters Alkyl sulfates Organosulfonic acids Vinylogous halides Sulfones Azo compounds Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Organic metal halides Azacyclic compounds Organochlorides Organic oxides Organic sodium salts Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-sulfobenzoic acid - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Pyrazolinone - Sulfuric acid monoester - Sulfate-ester - Aryl chloride - Aryl halide - Alkyl sulfate - Sulfuric acid ester - Organic sulfonic acid or derivatives - Sulfone - Pyrazoline - Organosulfonic acid or derivatives - Vinylogous halide - Organic sulfuric acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Carboxylic acid salt - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic salt - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic sodium salt - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 4-position of the benzene group.
External Descriptors
Not available