Compound Identification
SMILES
COC(=O)CC(C[N+]([O-])=O)C1=CC=CC=C1SC
InChIKey
InChIKey=OVPPSQAIQFOWMC-UHFFFAOYSA-N
Formula
C12H15NO4S
Mass
269.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
- Subclass Aryl thioethers
-
Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Thiophenol ethers Alkylarylthioethers Fatty acid methyl esters Benzene and substituted derivatives Methyl esters C-nitro compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - Thiophenol ether - Fatty acid ester - Fatty acid methyl ester - Alkylarylthioether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Sulfenyl compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors
Not available