Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C1(CBr)OCC(COS(=O)(=O)C2=CC3=CC=CC=C3C=C2)O1

InChIKey

InChIKey=OMHTZIPKBUNAIG-UHFFFAOYSA-N

Formula

C21H18BrClO5S

Mass

497.78

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Naphthalene sulfonates

Direct Parent

2-naphthalene sulfonates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - Chlorobenzene - Halobenzene - Ketal - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Meta-dioxolane - Organoheterocyclic compound - Acetal - Oxacycle - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Alkyl bromide - Organobromide - Organochloride - Organic oxide - Alkyl halide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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