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Structure Information
Structure

Compound Identification

SMILES

[B]N(C)CCN1C(=O)C(C)=C(C)\C(=N/NC2=C(C3=CC(C)=CC(CN([B])C)=C3C=C2)S(O)(=O)=O)C1=O

InChIKey

InChIKey=ZQIQQHXSLXYGBT-NHFJDJAPSA-N

Formula

C23H27B2N5O5S

Mass

507.18

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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 sulfonic acid or derivatives - 1-naphthalene sulfonate - Arylsulfonic acid or derivatives - Phenylhydrazine - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Amino acid or derivatives - Organic metalloid salt - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrazone - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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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