Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC1=C2C(=CC(=C1)S(O)(=O)=O)C=C(\C(=N\NC1=CC=C(C=C1)C(=O)NC1=CC3=C(C=C1)C=C(C=C3)S(O)(=O)=O)C2=O)S(O)(=O)=O

InChIKey

InChIKey=YCUWCMCDKUPTAX-KGGMANCPSA-N

Formula

C29H22N4O12S3

Mass

714.69

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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 homopolycyclic compounds

Substituents

2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - Benzamide - N-acetylarylamine - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Phenylhydrazine - Aryl ketone - N-arylamide - Monocyclic benzene moiety - Acetamide - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Carboxamide group - Secondary carboxylic acid amide - Hydrazone - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic 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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