Compound Identification
SMILES
OC(=O)C1=CC=C(COC2=CC=CC=C2C=C2SC(=O)N(CC3=C(F)C=CC=C3Cl)C2=O)C=C1
InChIKey
InChIKey=KOABTJVTKJNNTP-UHFFFAOYSA-N
Formula
C25H17ClFNO5S
Mass
497.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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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
Not available
Direct Parent
Benzoic acids
Alternative Parents
Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Thiazolidinediones Aryl fluorides Aryl chlorides Dicarboximides Thiocarbamic acid derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Chlorobenzene - Thiazolidinedione - Aryl chloride - Aryl fluoride - Aryl halide - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available