Structure Information
Structure

Compound Identification

SMILES

OCCN(CCO)C1=NC(NC2=CC=C(NC3=NC(NC4=C5C(=CC(=C4)S(O)(=O)=O)C=C(C(N=NC4=CC(=CC(=C4)C(O)=O)C(O)=O)=C5O)S(O)(O)O)=NC(=N3)N(CCO)CCO)C=C2)=NC(NC2=C3C(=CC(=C2)S(O)(=O)=O)C=C(C(N=NC2=CC(=CC(=C2)C(O)=O)C(O)=O)=C3O)S(O)(O)O)=N1

InChIKey

InChIKey=VTWAOLPQMDRGQP-UHFFFAOYSA-N

Formula

C56H54N16O26S4

Mass

1495.37

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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 heteropolycyclic compounds

Substituents

2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Meta_phthalic_acid - 1-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Aminotriazine - 1-hydroxy-4-unsubstituted benzenoid - Amino-1,3,5-triazine - Phenol - N-aliphatic s-triazine - Triazine - 1,3,5-triazine - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Azo compound - Polyol - Alkanolamine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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