Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)CC(C)(C)NC1=C(N=C2C=CC=CN12)C1=CC=C(OS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=BBKXKJFRNSQUAL-UHFFFAOYSA-N

Formula

C27H30N4O5S

Mass

522.62

Export to:

JSON SDF CSV

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 heteropolycyclic compounds

Substituents

P-nitrobenzenesulfonate - Benzenesulfonate ester - P-bromobenzenesulfonate - 4-phenylimidazole - 5-phenylimidazole - Arylsulfonic acid or derivatives - Imidazo[1,2-a]pyridine - Benzenesulfonyl group - Imidazopyridine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Aminoimidazole - Organosulfonic acid ester - Pyridine - N-substituted imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Imidazole - Sulfonyl - Azole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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

Previous Back Next