Structure Information
Structure

Compound Identification

SMILES

CC1=C(C2=CC=CC=C2C=C1)C(C)(CCCS(O)(=O)=O)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=YXHKZWUQJDSHNM-RFPOHSCDSA-N

Formula

C43H49NO11S3

Mass

852.04

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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

2-naphthalene sulfonates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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