Structure Information
Structure

Compound Identification

SMILES

CC1(C)\C(=C/C=C/C=C/C=C/C2=[N+](CCS(O)(=O)=O)C3=C(C4=C(C=C3)C=C(C=C4)S(O)(=O)=O)C2(C)C)N(CCS(O)(=O)=O)C2=C1C1=C(C=C2)C=C(SOOO)C=C1

InChIKey

InChIKey=LRUPDMDVAAJTJM-UHFFFAOYSA-O

Formula

C39H41N2O12S4

Mass

858.0

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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 heteropolycyclic compounds

Substituents

2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 3-alkylindole - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Indole or derivatives - Tertiary aliphatic/aromatic amine - Organosulfonic acid or derivatives - Sulfonyl - Alkanesulfonic acid - Organosulfonic acid - Organic sulfonic acid or derivatives - Tertiary amine - Enamine - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic 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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