Compound Identification
SMILES
CC(C)(C)OC(=O)COC1=CC(OCC(=O)OC(C)(C)C)=C(C(OCC(=O)OC(C)(C)C)=C1)S(OS(=O)(=O)C1=C(C(=C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=XPVNPMNTPBONGA-UHFFFAOYSA-N
Formula
C47H45F15O12S2
Mass
1150.96
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 Tricarboxylic acids and derivatives Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Sulfonyls Carboxylic acid esters Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Trifluoromethylbenzene - Benzenesulfonate - Arylsulfonic acid or derivatives - Tricarboxylic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Alkyl halide - Organic oxide - 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