Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C2=CC=CC=C2Cl)S\C(=C/C2=CC(OCC)=C(OCC3=CC=C(F)C=C3)C=C2)C1=O
InChIKey
InChIKey=RLONFKJCRHWUAX-XYGWBWBKSA-N
Formula
C30H25ClFNO6S
Mass
582.04
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 Chlorobenzenes Fluorobenzenes Vinylogous thioesters 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 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 - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous thioester - 2,3-dihydrothiophene - Vinylogous amide - Vinylogous halide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Thioenolether - Secondary carboxylic acid amide - Ketene acetal or derivatives - Ketone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - 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