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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organic oxoanionic compounds
-
Subclass
Organic nitrates
- Level 5 Alkyl nitrates
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Subclass
Organic nitrates
-
Class
Organic oxoanionic compounds
-
Superclass
Organic oxygen compounds
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
Organic nitro compounds Organic nitric acids and derivatives Nitrosothiols Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
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