Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(=N)\C1=N/NC1=NC2=C(S1)C=CC(=C2)S(O)(=O)=O)C1=CC2=C(C=C1)C(=CC=C2)S(O)(=O)=O

InChIKey

InChIKey=CAHPLPKHVAIHMK-JMIWTYPQSA-N

Formula

C21H16N6O6S3

Mass

544.58

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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 sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1,3-benzothiazole - 1-sulfo,2-unsubstituted aromatic compound - Imidolactam - Azole - Pyrazoline - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiazole - Sulfonyl - Organosulfonic acid - Amidine - Hydrazone - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - 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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