Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC=C1C=NNC(=O)CC1=CC(=CC=C1)C(F)(F)F

InChIKey

InChIKey=CVDOPMRINOIVDX-UHFFFAOYSA-N

Formula

C22H16F3N3O6S

Mass

507.44

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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

p-Nitrobenzenesulfonates

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

P-nitrobenzenesulfonate - Benzenesulfonate ester - P-bromobenzenesulfonate - Trifluoromethylbenzene - Phenylacetamide - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - Phenoxy compound - Nitroaromatic compound - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organic salt - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.

External Descriptors

Not available

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