Structure Information
Structure

Compound Identification

SMILES

COCCN1C2=C(C3=CC(=CC(=C3C=C2)S(O)(=O)=O)S(O)(=O)=O)C(C)(CCOC)\C1=C/C=C/C=C/C=C/C1=[N+](CCCCCC(O)=O)C2=C(C3=CC(=CC(=C3C=C2)S(O)(=O)=O)S(O)(=O)=O)C1(C)C

InChIKey

InChIKey=YMKPAABYFUSWTM-UHFFFAOYSA-O

Formula

C46H53N2O16S4

Mass

1018.17

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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

1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 3-alkylindole - Arylsulfonic acid or derivatives - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Heterocyclic fatty acid - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Enamine - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Carbonyl group - 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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