Basic information
- Standard SMILES
CCC1(c2ccc(O)cc2)CSc2cc(O)ccc2C1CCCCCCCCCC(CCCCCC(F)(F)C(F)(F)F)C(=O)O- InChIKey
BPPXNEKOXNTKDM-UHFFFAOYSA-N- Molecular formula
- C35H47F5O4S
- Average molar mass
- 658.8 g/mol
Names & identifiers
- Preferred name
- 11-[(3RS,4RS)-3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]-2-(6,6,7,7,7-pentafluoroheptyl)undecanoic acid
- IUPAC
- 11-[3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)-2,4-dihydrothiochromen-4-yl]-2-(6,6,7,7,7-pentafluoroheptyl)undecanoic acid
Names & synonyms
11-[(3RS,4RS)-3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]-2-(6,6,7,7,7-pentafluoroheptyl)undecanoic acidSCHEMBL7227896
Database identifiers
- PubChem CID
- 18546263
Properties
Computed structural properties
- XLogP
- 12.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 865
Related reactions
1 records
Compound notes
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