Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CCCCCN1C2=C(C3=CC=CC=C3C=C2)C(C)(C)\C1=C\C=C\C1=[N+](CCCCCC(=O)OCC)C2=C(C3=C(C=C2)C(=CC=C3)S(O)(=O)=O)C1(C)C

InChIKey

InChIKey=FEGQRQQCTKCNKQ-UHFFFAOYSA-O

Formula

C47H57N2O7S

Mass

794.04

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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 - 3-alkylindole - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Indole or derivatives - Tertiary aliphatic/aromatic amine - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organic sulfonic acid or derivatives - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Enamine - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - 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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