Structure Information
Structure

Compound Identification

SMILES

COC1=CC(NC2=CC=CC=C2)=CCC1=[N+]=[N-].CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(O)(=O)=O

InChIKey

InChIKey=MRCAEXXCVWGCLX-UHFFFAOYSA-N

Formula

C31H37N3O4S

Mass

547.71

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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

Not available

Substituents

1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - Aniline or substituted anilines - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Diazo compound - Enamine - Amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - 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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