Compound Identification
SMILES
[Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)N=C([O-])N=C1NC(OC)=NC(C)=N1
InChIKey
InChIKey=JUJFQMPKBJPSFZ-UHFFFAOYSA-M
Formula
C14H13IN5NaO6S
Mass
529.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds 2-methoxy-1,3,5-triazines Benzoyl derivatives Alkyl aryl ethers Iodobenzenes Aryl iodides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Methyl esters Azacyclic compounds Monocarboxylic acids and derivatives Organic metal halides Hydrocarbon derivatives Organopnictogen compounds Organic sodium salts Organic zwitterions Organoiodides Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Benzoyl - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Triazine - 1,3,5-triazine - Organic sulfonic acid or derivatives - Methyl ester - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Carboxylic acid ester - Organic alkali metal salt - Organoheterocyclic compound - Organic metal halide - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organoiodide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic sodium salt - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
CHEBI:81741 :
organic molecular entity
KEGG (C18431) :
Sulfonylurea herbicides