Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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