Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CC[C@H](NC(=O)C3=C(Cl)C=CC(CON(O)O)=C3)C3=CC(=O)C(SC)=CC=C23)=C1
InChIKey
InChIKey=CJKHJXUSFFGIDH-NRFANRHFSA-N
Formula
C28H29ClN2O8S
Mass
589.06
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 Tropones Benzoyl derivatives Anisoles Chlorobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Cyclic ketones Sulfenyl compounds Organonitrogen compounds Organochlorides Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Aryl thioether - Anisole - Phenol ether - Benzoyl - Tropone - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Cyclic ketone - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic homopolycyclic 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