Structure Information
Structure

Compound Identification

SMILES

CNCCNC1=CC=CC2=C1C=CC=C2S([N])(=O)=O

InChIKey

InChIKey=MQMOAJHCEBZYBB-UHFFFAOYSA-N

Formula

C13H15N3O2S

Mass

277.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

1-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

1-naphthalene sulfonic acid or derivatives - Secondary aliphatic/aromatic amine - Organic sulfonic acid or derivatives - Sulfonylnitrene - Sulfonyl - Organosulfonic acid or derivatives - Secondary aliphatic amine - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) 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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