Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])=C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])=C1

InChIKey

InChIKey=HLAAGTOTKUVPJQ-UHFFFAOYSA-N

Formula

C39H22N6O14S3

Mass

894.81

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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 - Gallic acid or derivatives - Benzoate ester - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenoxide - Monocyclic benzene moiety - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organic diazonium salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - 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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