Structure Information
Structure

Compound Identification

SMILES

COC1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C(C(O)=O)=C(Br)C=C1

InChIKey

InChIKey=HXZPTSMFAYWDCG-UHFFFAOYSA-N

Formula

C15H13BrO6S

Mass

401.23

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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

Methoxybenzoic acids and derivatives

Direct Parent

M-methoxybenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

M-methoxybenzoic acid or derivatives - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Tosyl compound - Halobenzoic acid - 2-halobenzoic acid - Benzoic acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Benzoyl - Anisole - 1-carboxy-2-haloaromatic compound - Methoxybenzene - Halobenzene - Toluene - Bromobenzene - Alkyl aryl ether - Organosulfonic acid ester - Aryl bromide - Aryl halide - Vinylogous halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.

External Descriptors

Not available

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