Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.OC(=O)C(CNC(=O)C1=NN=C(CCCCNC2=CC=CC=N2)S1)NS(=O)(=O)C1=CC=CC2=CC=CC=C12

InChIKey

InChIKey=NDZYFRHWTAPUIB-UHFFFAOYSA-N

Formula

C27H27F3N6O7S2

Mass

668.66

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

1-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Aminopyridine - Pyridine - Organosulfonic acid amide - Imidolactam - Heteroaromatic compound - Aminosulfonyl compound - Thiadiazole - Sulfonyl - Alpha-halocarboxylic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Amine - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) 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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