Structure Information
Structure

Compound Identification

SMILES

CC1(C)\C(=C/C=C(/C=C/C2=[N+](CCCS(O)(=O)=O)C3=C(C4=CC(=CC(=C4C=C3)S(O)(=O)=O)S(O)(=O)=O)C2(C)C)\C2=NC=C(C=C2)C(O)=O)N(CCCS(O)(=O)=O)C2=C1C1=CC(=CC(=C1C=C2)S(O)(=O)=O)S(O)(=O)=O

InChIKey

InChIKey=NAFVCOLFBVYMQN-UHFFFAOYSA-O

Formula

C45H46N3O20S6

Mass

1141.22

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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 - Indole or derivatives - Arylsulfonic acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Pyridine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Alkanesulfonic acid - Amino acid - Amino acid or derivatives - Tertiary amine - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Enamine - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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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