Structure Information
Structure

Compound Identification

SMILES

Cc1cc(C[N+](C)(C)C)c(OS(=O)(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(C[N+](C)(C)C)c1

InChIKey

InChIKey=SIFASELTGCXHHD-UHFFFAOYSA-N

Formula

C21H30N4O7S

Mass

482.55

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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 - Nitrobenzene - Arylsulfonic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenylmethylamine - Benzylamine - Aralkylamine - Organosulfonic acid ester - Tetraalkylammonium salt - Sulfonyl - Organosulfonic acid or derivatives - Quaternary ammonium salt - Organic nitro compound - C-nitro compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Amine - 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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