Compound Identification
SMILES
OC(=O)COC1=C(NC(=S)CC2=CC(=CC=C2)[N+]([O-])=O)C=C(OC(F)(F)F)C=C1
InChIKey
InChIKey=LKQIXQDHDICLOQ-UHFFFAOYSA-N
Formula
C17H13F3N2O6S
Mass
430.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Thioamides Trihalomethanes Thiocarboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkyl fluorides Thiocarbonyl compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic salts Organofluorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Thioamide - C-nitro compound - Trihalomethane - 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 - Thiocarboxylic acid amide - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Halomethane - Thiocarbonyl group - Carbonyl group - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available