Structure Information
Structure

Compound Identification

SMILES

CC(C)(C1=CC=CC=C1)C1=CC=C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3O)C=C1

InChIKey

InChIKey=XJLAJXCQFPDESO-UHFFFAOYSA-O

Formula

C25H21N2O4S

Mass

445.51

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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

1-naphthalene sulfonates

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Diphenylmethane - 1-naphthol - Arylsulfonic acid or derivatives - Phenylpropane - Phenoxy compound - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic diazonium salt - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group 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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