Compound Identification
SMILES
[O-]S(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F.CC(C)(C)OC(=O)COC1=CC(OCC(=O)OC(C)(C)C)=C(C=C1)[S+](C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=PJXHMUGWMJYIPG-UHFFFAOYSA-M
Formula
C38H38F6O9S2
Mass
816.82
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
Trifluoromethylbenzenes Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Carboxylic acid esters Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Phenoxyacetate - Trifluoromethylbenzene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Alkyl halide - Organofluoride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic oxide - 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