Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C2=CC=CC=C2Cl)SC(=CC2=C(OCC3=CC=CC=C3F)C=CC(Br)=C2)C1=O
InChIKey
InChIKey=LLSXXIVNAMTZMB-UHFFFAOYSA-N
Formula
C28H20BrClFNO5S
Mass
616.88
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
Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Chlorobenzenes Fluorobenzenes Vinylogous thioesters Aryl bromides Aryl chlorides Aryl fluorides Vinylogous halides Vinylogous amides Dihydrothiophenes Enoate esters Thioenol ethers Secondary carboxylic acid amides Cyclic ketones Ketene acetals Monocarboxylic acids and derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Vinylogous thioester - Aryl halide - 2,3-dihydrothiophene - Vinylogous amide - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic ketone - Thioenolether - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organofluoride - Organochloride - Organic nitrogen compound - Organohalogen compound - Organobromide - 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