Compound Identification
SMILES
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=SCGIHGXPLQQTDW-UHFFFAOYSA-N
Formula
C19H17ClN4O12S3
Mass
624.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
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Subclass
Benzenesulfonic acids and derivatives
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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
Alpha amino acids and derivatives Halobenzoic acids 2-halobenzoic acids Benzenesulfonyl compounds Benzoic acids 1-sulfo,2-unsubstituted aromatic compounds 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Chlorobenzenes Sulfuric acid monoesters Alkyl sulfates Aryl chlorides Pyrazolones Sulfones Vinylogous halides Organosulfonic acids Azo compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
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 - Benzoic acid or derivatives - Benzoyl - 1-carboxy-2-haloaromatic compound - Halobenzene - Chlorobenzene - Alkyl sulfate - Sulfuric acid monoester - Aryl halide - Aryl chloride - Pyrazolinone - Sulfuric acid ester - Sulfate-ester - Vinylogous halide - Sulfonyl - Organic sulfuric acid or derivatives - Pyrazoline - Organosulfonic acid - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azo compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organohalogen compound - 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