Structure Information
Structure

Compound Identification

SMILES

COC1=C(OS(C)(=O)=O)C=C(CN(C(C)C)C(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=XOSBSXQWBKDTLQ-UHFFFAOYSA-N

Formula

C19H21ClN2O7S

Mass

456.89

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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

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Sulfonic acid ester - Organosulfonic acid ester - Organosulfonic acid or derivatives - Methanesulfonate - Organic sulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - C-nitro compound - Organic nitro compound - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organochloride - Organic cation - Aromatic homomonocyclic 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

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