Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=C(NC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C#N)C=C1)[N+]([O-])=O

InChIKey

InChIKey=VGWAULZQCZITFB-UHFFFAOYSA-N

Formula

C27H19N3O7S

Mass

529.52

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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 sulfonic acid or derivatives - 2-naphthalene sulfonate - Coumaric acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Nitrophenyl ether - Nitrobenzene - Arylsulfonic acid or derivatives - Anilide - Methoxyaniline - Phenoxy compound - N-arylamide - Phenol ether - Methoxybenzene - Anisole - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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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