Compound Identification
SMILES
[O-]C(=O)C1=CC(=CC(NS(=O)(=O)C2=CC(=C(NC3CCCCC3)C=C2)[N+]([O-])=O)=C1)C([O-])=O
InChIKey
InChIKey=WBCNPZMZGYFZCW-UHFFFAOYSA-L
Formula
C20H19N3O8S
Mass
461.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Phthalic acid and derivatives
- Level 6 M-phthalic acid and derivatives
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Level 5
Phthalic acid and derivatives
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Subclass
Benzoic 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
Benzoic acids and derivatives
Intermediate Tree Nodes
Phthalic acid and derivatives
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Aminobenzenesulfonamides Sulfanilides Benzenesulfonyl compounds Benzoic acids Nitrobenzenes Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Nitroaromatic compounds Cyclohexylamines Secondary alkylarylamines Organosulfonamides Aminosulfonyl compounds Amino acids Carboxylic acid salts Carboxylic acids Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta_phthalic_acid - Aminobenzenesulfonamide - Sulfanilide - Benzenesulfonamide - Nitrobenzene - Benzoic acid - Benzenesulfonyl group - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Nitroaromatic compound - Cyclohexylamine - Secondary aliphatic/aromatic amine - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - Carboxylic acid salt - C-nitro compound - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
External Descriptors
Not available