Compound Identification
SMILES
CCN1C(=O)S\C(=C/C2=CC(Cl)=C(OCC3=CC=C(C=C3)C([O-])=O)C=C2)C1=O
InChIKey
InChIKey=VCUSRIBEBYUVQW-YVLHZVERSA-M
Formula
C20H15ClNO5S
Mass
416.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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
Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Thiazolidinediones Chlorobenzenes Aryl chlorides Dicarboximides Thiocarbamic acid derivatives Carboxylic acid salts Tertiary amines Amino acids Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Thiazolidinedione - Aryl chloride - Aryl halide - Dicarboximide - Thiazolidine - Tertiary amine - Carboxylic acid salt - Amino acid - Thiocarbamic acid derivative - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic anion - 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