Compound Identification
SMILES
[Na+].CC1=CC(Cl)=C(C=C1)C(=O)NN=CC1=CC=C(O1)S([O-])(=O)=O
InChIKey
InChIKey=IBTYYNBJDQGGEX-UHFFFAOYSA-M
Formula
C13H10ClN2NaO5S
Mass
364.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
p-Toluamides Arylsulfonic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Sulfonyls Organosulfonic acids Furans Heteroaromatic compounds Organic metal halides Oxacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic sodium salts Organochlorides Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous halide - Carboxylic acid derivative - Organoheterocyclic compound - Organic metal halide - Organic alkali metal salt - Oxacycle - Organic sodium salt - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available