Compound Identification
SMILES
CCC(C)N(CC1=CC(OS(C)(=O)=O)=C(OC)C=C1)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=WOEVTHXBGFMVGJ-UHFFFAOYSA-N
Formula
C20H24BrNO5S
Mass
470.38
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Organosulfonic acid esters Sulfonic acid esters Methanesulfonates Tertiary carboxylic acid amides Sulfonyls Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Halobenzene - Bromobenzene - Alkyl aryl ether - Organosulfonic acid ester - Sulfonic acid ester - Aryl halide - Aryl bromide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Carboxamide group - Ether - Carboxylic acid derivative - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - 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