Basic information
- Standard SMILES
CCOC(=O)COc1ccc(SC/C=C(\I)c2ccc(C(F)(F)F)cc2)cc1C- InChIKey
MBMGNNDESUPMQV-ZDLGFXPLSA-N- Molecular formula
- C21H20F3IO3S
- Average molar mass
- 536.3 g/mol
- Monoisotopic mass
- 536.013
Names & identifiers
- Preferred name
- ethyl (Z)-[4-[3-iodo-3-(4-trifluoromethylphenyl)allylsulfanyl]-2-methylphenoxy]acetate
- IUPAC
- ethyl 2-[4-[(Z)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]sulfanyl-2-methylphenoxy]acetate
Names & synonyms
ethyl (Z)-[4-[3-iodo-3-(4-trifluoromethylphenyl)allylsulfanyl]-2-methylphenoxy]acetateethyl(z)-[4-[3-iodo-3-(4-trifluoromethylphenyl)allylsulfanyl]-2-methylphenoxy]acetate
Database identifiers
- PubChem CID
- 86620180
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 548
Related reactions
1 records
Compound notes
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