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Structure Information
Structure

Compound Identification

SMILES

[3H]C(SSC1=CC(C(O)=O)=C(C=C1)[N+]([O-])=O)C1=CC=C(C=C1)C1(N=N1)C(F)(F)F

InChIKey

InChIKey=JNOFGCRYEHNNRG-WTRHXODISA-N

Formula

C16H10F3N3O4S2

Mass

431.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzoate - M-sulfanylbenzoic acid or derivatives - M-sulfanylbenzoic acid - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organic disulfide - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Diazirine - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organic oxoazanium - Carboxylic acid derivative - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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