Structure Information
Structure

Compound Identification

SMILES

CC(Cl)CN(CC(C)Cl)CC(O)=O.OS(=O)(=O)C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=SMPUBHSGEDUNKX-UHFFFAOYSA-N

Formula

C14H18Cl2N4O11S

Mass

521.28

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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

Not available

Substituents

P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrogen mustard - Nitroaromatic compound - Organosulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Tertiary aliphatic amine - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Amine - Organic oxygen compound - Organic salt - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - 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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