Structure Information
Structure

Compound Identification

SMILES

O=C1N(C(=N\C1=C/C1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=NN(CNC2=CC=CC=C2)C(=S)O1

InChIKey

InChIKey=YZIRRMISSXXCRV-GIBOGKFOSA-N

Formula

C37H27N5O5S2

Mass

685.77

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonate esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzenesulfonate ester - Alpha-amino acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenylalkylamine - Imidazolinone - Organosulfonic acid ester - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - 2-imidazoline - Oxadiazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.

External Descriptors

Not available

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