Compound Identification
SMILES
Cl.COCCN(CCOC)[C@@H]1CCCC[C@H]1SC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=OYHDHHTUWUMYAW-JAXOOIEVSA-N
Formula
C19H29BrClNO3S
Mass
466.86
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
Thiobenzoic acids and derivatives Benzoyl derivatives Cyclohexylamines Bromobenzenes Aryl bromides Trialkylamines Thioesters Carbothioic S-esters Amino acids and derivatives Sulfenyl compounds Dialkyl ethers Organobromides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Bromobenzene - Cyclohexylamine - Halobenzene - Aryl bromide - Aryl halide - Amino acid or derivatives - Carbothioic s-ester - Tertiary aliphatic amine - Thiocarboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Sulfenyl compound - Dialkyl ether - Ether - Thiocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrochloride - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur 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