Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(C)C1=C(CCC(O)=O)C=C(Br)C=C1C(O)=O

InChIKey

InChIKey=WNJOECYFPJBHSR-UHFFFAOYSA-N

Formula

C18H18BrNO7S

Mass

472.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

3-phenylpropanoic-acid - Benzenesulfonamide - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Sulfanilide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid - Anisole - Phenoxy compound - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Organosulfonic acid amide - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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