Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(C(O)=C1C(O)=O)C(C)(C)C)S(=O)(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=FFPOJJYGTQKNIP-UHFFFAOYSA-N

Formula

C18H18ClNO7S

Mass

427.85

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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

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Salicylic acid - Benzoic acid - Benzenesulfonyl group - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Benzoyl - M-cresol - Chlorobenzene - Halobenzene - Phenol - Toluene - Aryl chloride - Aryl halide - Sulfonyl - Sulfone - Vinylogous acid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

External Descriptors

Not available

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