Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)N=C2SC(=CC3=CC=C(O3)C3=CC(C(O)=O)=C(Cl)C=C3)C(=O)N2C1C1=CC(=C(C)C=C1)[N+]([O-])=O

InChIKey

InChIKey=WTGCSRNRJGTOKP-UHFFFAOYSA-N

Formula

C29H22ClN3O8S

Mass

608.02

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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

Halobenzoic acids and derivatives

Direct Parent

Halobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Furan - Thiazole - Vinylogous halide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Organic nitro compound - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic salt - Organooxygen compound - Organic oxide - Organohalogen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.

External Descriptors

Not available

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