Compound Identification
SMILES
[O-]C(=O)CC12CC3CC(C1)CC(C3)(C2)O[N+]([O-])=O
InChIKey
InChIKey=ZUNCLGOEVTUKCH-UHFFFAOYSA-M
Formula
C12H16NO5
Mass
254.263
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organic oxoanionic compounds
-
Subclass
Organic nitrates
- Level 5 Alkyl nitrates
-
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 Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Alkyl nitrate - Organic nitro compound - Organic nitric acid or derivatives - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - 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