Structure Information
Structure

Compound Identification

SMILES

OC1=C(O)C=C(\C=C\C(=O)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)NC2=CC=C(Br)C=C2)C=C1

InChIKey

InChIKey=XQNRJMBAAHCVKR-RIYZIHGNSA-N

Formula

C25H19BrN2O5S

Mass

539.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

1-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Sulfanilide - Catechol - Styrene - N-arylamide - Phenol - Bromobenzene - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Organosulfonic acid amide - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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