Compound Identification
SMILES
OC(=O)C1=CC=CC(C(O)=O)=C1NS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)NC1=C(C=CC(=C1C(O)=O)S(O)(=O)=O)C(O)=O
InChIKey
InChIKey=DNUKTKFXJPALOA-UHFFFAOYSA-N
Formula
C22H16N2O15S3
Mass
644.55
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
-
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
2-sulfobenzoic acids M-phthalic acid and derivatives Sulfanilides Benzenesulfonamides 1-sulfo,2-unsubstituted aromatic compounds Benzoic acids Benzenesulfonyl compounds Benzoyl derivatives Organosulfonamides Vinylogous amides Organosulfonic acids Aminosulfonyl compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-sulfobenzoic acid - 4-sulfobenzoic acid - Meta_phthalic_acid - Benzenesulfonamide - Sulfanilide - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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