Basic information
- Standard SMILES
CC1(c2ccc(O)cc2)CSc2cc(O)ccc2C1CCCCCCCCC(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O- InChIKey
CRDWGOFZGVZVMA-UHFFFAOYSA-N- Molecular formula
- C33H39F9O4S
- Average molar mass
- 702.7 g/mol
Names & identifiers
- Preferred name
- 10-[(3RS,4RS)-7-hydroxy-3-(4-hydroxyphenyl)-3-methylthiochroman-4-yl]-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)decanoic acid
- IUPAC
- 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)decanoic acid
Names & synonyms
10-[(3RS,4RS)-7-hydroxy-3-(4-hydroxyphenyl)-3-methylthiochroman-4-yl]-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)decanoic acidSCHEMBL7218944
Database identifiers
- PubChem CID
- 10146744
Properties
Computed structural properties
- XLogP
- 11.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 17
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 990
Related reactions
2 records
Compound notes
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