Compound Identification
SMILES
CCC(C)OC(=S)C(F)(Cl)[N+]([O-])=O
InChIKey
InChIKey=NQFFDWLAAGDWHU-UHFFFAOYSA-N
Formula
C6H9ClFNO3S
Mass
229.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Subclass
Organic nitro compounds
- Level 5 C-nitro compounds
-
Subclass
Organic nitro compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
Not available
Direct Parent
C-nitro compounds
Alternative Parents
Thioesters Carbothioic O-esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Thiocarbonyl compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
C-nitro compound - Thiocarboxylic acid ester - Carbothioic o-ester - Organic oxoazanium - Thiocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Alkyl chloride - Alkyl fluoride - Organic salt - Hydrocarbon derivative - Organic oxide - Thiocarbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon.
External Descriptors
Not available