Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(NC(=O)C(=CC2=CC(OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)=CC=C2)C#N)C=C1

InChIKey

InChIKey=YIROIJBFKYYYBV-UHFFFAOYSA-N

Formula

C26H17BrN2O4S

Mass

533.4

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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 homopolycyclic compounds

Substituents

2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid amide - Arylsulfonic acid or derivatives - Anilide - Phenoxy compound - N-arylamide - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homopolycyclic 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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