Compound Identification
SMILES
CCN(CCO)C1=CC=C(C=C1)[N+]#N.OC(=O)C1=CC(=CC(=C1)C(O)=O)S([O-])(=O)=O
InChIKey
InChIKey=KPVOXRNTJWERIJ-UHFFFAOYSA-M
Formula
C18H19N3O8S
Mass
437.42
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 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
M-phthalic acid and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Sulfonyls Organosulfonic acids 1,2-aminoalcohols Organic diazonium salts Carboxylic acids Primary alcohols Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Not available
Substituents
3-sulfobenzoic acid - Meta_phthalic_acid - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic diazonium salt - Tertiary amine - 1,2-aminoalcohol - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organic cation - 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