Compound Identification
SMILES
[Na+].FC(F)(F)OC1=CC=C(\C=C\S(=O)(=O)[N-]C(=O)C2=C(Cl)C=C(Br)C=C2)C=C1
InChIKey
InChIKey=RSVIWVCGHBNNCS-USRGLUTNSA-M
Formula
C16H9BrClF3NNaO4S
Mass
506.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Styrenes Phenoxy compounds Phenol ethers Benzoyl derivatives Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Sulfonyls Organosulfonic acids and derivatives Trihalomethanes Carbene-type 1,3-dipolar compounds Carboxylic acids and derivatives Organic metal halides Hydrocarbon derivatives Organic sodium salts Alkyl fluorides Organooxygen compounds Organobromides Organochlorides Organofluorides Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Styrene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Vinylogous halide - Trihalomethane - Organic 1,3-dipolar compound - Carbene-type 1,3-dipolar compound - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Organic nitrogen compound - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organic sodium salt - Alkyl fluoride - Organic oxide - Alkyl halide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available