Compound Identification
SMILES
CC(=O)C1=CC2=C(S1)C(NC(=O)C1=CC=C(Cl)C=C1)C(O)C(C)(C)O2
InChIKey
InChIKey=KBNVDFMTADNYAA-UHFFFAOYSA-N
Formula
C18H18ClNO4S
Mass
379.86
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
Thienopyrans Benzamides 2,3,5-trisubstituted thiophenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Pyrans Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Thienopyran - Benzoyl - Aryl alkyl ketone - Aryl ketone - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyran - Heteroaromatic compound - Thiophene - Carboxamide group - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Aldehyde - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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