Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)C1=CC2=CC=CC=C2C=C1.CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)C1=C(C)C=C[N+]([O-])=C1C)C1=CC=C(Br)C=C1

InChIKey

InChIKey=PTBJPPHXCFWTIB-AFCPYBGBSA-N

Formula

C38H45BrN4O6S

Mass

765.76

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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

Not available

Substituents

2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - N-acyl-piperidine - Pyridine carboxylic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 4-aminopiperidine - Bromobenzene - Methylpyridine - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyridine - Pyridinium - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic salt - Amine - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic cation - 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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