Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)OCC(COC(=O)CC1(SN=O)C2CC3CC(C2)CC1C3)(CO[N+]([O-])=O)CO[N+]([O-])=O

InChIKey

InChIKey=JADANNQQFZYAFB-UHFFFAOYSA-N

Formula

C17H24N4O12S

Mass

508.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organic oxoanionic compounds

Subclass

Organic nitrates

Intermediate Tree Nodes

Not available

Direct Parent

Alkyl nitrates

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Alkyl nitrate - Carboxylic acid ester - Nitrosothiol - Nitrosothiol-group - Organic nitric acid or derivatives - Organic s-nitroso compound - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitroso compound - Organic salt - Organosulfur compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic cation - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl nitrates. These are organic compounds containing a nitrate that is O-linked to an alkyl group.

External Descriptors

Not available

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