Structure Information
Structure

Compound Identification

SMILES

CC1=CC(N\N=C2\C(=O)C3=C(C=C(NC(=O)NC4=CC5=C(C=C4)C(=O)\C(=N\NC4=CC6=C(C=C4)C=C(C=C6)S(O)(=O)=O)C(=C5)S(O)(=O)=O)C=C3)C=C2S(O)(=O)=O)=CC=C1

InChIKey

InChIKey=VCUDMKPBAPPCKA-PLJIOEQVSA-N

Formula

C38H28N6O12S3

Mass

856.85

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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 sulfonate - 2-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Aryl ketone - Toluene - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Urea - Hydrazone - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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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