Compound Identification
SMILES
C[C@H](O)C#CCOC1=C(SC2=C3CCCCC3=C(OCC(O)=O)C=C2)C=CC(COC2=CC=C(C=C2)C(F)(F)F)=C1
InChIKey
InChIKey=BHFPIRBQUYNQBU-FQEVSTJZSA-N
Formula
C31H29F3O6S
Mass
586.62
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
Diarylthioethers Trifluoromethylbenzenes Tetralins Thiophenol ethers Phenoxy compounds Phenol ethers Alkyl aryl ethers Secondary alcohols Sulfenyl compounds Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phenoxyacetate - Diarylthioether - Tetralin - Trifluoromethylbenzene - Phenol ether - Phenoxy compound - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Secondary alcohol - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organofluoride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Alkyl fluoride - Carbonyl group - Alkyl halide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic 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