Structure Information
Structure

Compound Identification

SMILES

[H]OS(=O)(=O)c1c([H])c([H])c(c([H])c1[H])N1N=C(C(=O)OC([H])([H])C([H])([H])[H])C([H])(\N=N\c2c([H])c([H])c(c3c([H])c([H])c([H])c([H])c23)S(=O)(=O)O[H])C1=O

InChIKey

InChIKey=BINQBZMJVFDZFB-WCWDXBQESA-N

Formula

C22H18N4O9S2

Mass

546.53

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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 heteropolycyclic compounds

Substituents

1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Monocyclic benzene moiety - Pyrazolinone - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Azo compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic 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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