Compound Identification
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O
InChIKey
InChIKey=JLCPQHXCWCDUFZ-UHFFFAOYSA-N
Formula
C15H14N2O8S2
Mass
414.4
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 3-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
3-sulfobenzoic acids
Alternative Parents
Sulfanilides Acetanilides Benzenesulfonamides 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids N-acetylarylamines Benzoyl derivatives Organosulfonamides Vinylogous amides Organosulfonic acids Aminosulfonyl compounds Acetamides Secondary carboxylic acid amides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-sulfobenzoic acid - Acetanilide - Benzenesulfonamide - Sulfanilide - N-acetylarylamine - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anilide - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - N-arylamide - Benzoyl - Organosulfonic acid amide - Acetamide - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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