Structure Information
Structure

Compound Identification

SMILES

COC(=O)\C=C\CSC(N)=[NH2+].[O-][N+](=O)C1=CC=C(C=C1)S([O-])(=O)=O

InChIKey

InChIKey=HHWWUOOCZBDPIS-SQQVDAMQSA-N

Formula

C12H15N3O7S2

Mass

377.39

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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 - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Fatty acyl - Methyl ester - Sulfonyl - Enoate ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alpha,beta-unsaturated carboxylic ester - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Organonitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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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