Structure Information
Structure

Compound Identification

SMILES

CC1=CC(N=NC2=CC(=C(NC3=CC=CC=C3)C=C2)S(O)(=O)=O)=C(NS(C)(=O)=O)C=C1N=NC1=CC(N=NC2=C3C=CC(=CC3=C(C=C2O)S(O)(=O)=O)[N+]([O-])=O)=C(O)C(N=NC2=CC=CC=C2)=C1O

InChIKey

InChIKey=BCPNOWKKINQPFP-UHFFFAOYSA-N

Formula

C42H33N11O13S3

Mass

995.97

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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

Azobenzene - 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-nitronaphthalene - 2-naphthol - Sulfanilide - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Nitroaromatic compound - Aniline or substituted anilines - Resorcinol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Organic sulfonic acid amide - Monocyclic benzene moiety - Organosulfonic acid amide - Primary aromatic amine - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic nitro compound - Azo compound - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - 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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