2a(2),7a(2)-Difluoro-6a(2)-hydroxy-3-oxospiro[isobenzofuran-1(3H),9a(2)-[9H]xanthen]-3a(2)-yl 2,3,4,5,6-pentafluorobenzenesulfonate
Basic information
- CAS
728912-49-0- Standard SMILES
O=C1OC2(c3cc(F)c(O)cc3Oc3cc(OS(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)c(F)cc32)c2ccccc21- InChIKey
SLGZMNDLKXGSKL-UHFFFAOYSA-N- Molecular formula
- C26H9F7O7S
- Average molar mass
- 598.4 g/mol
- Monoisotopic mass
- 597.99572093
Names & identifiers
- Preferred name
- 2a(2),7a(2)-Difluoro-6a(2)-hydroxy-3-oxospiro[isobenzofuran-1(3H),9a(2)-[9H]xanthen]-3a(2)-yl 2,3,4,5,6-pentafluorobenzenesulfonate
- IUPAC
- (2',7'-difluoro-6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) 2,3,4,5,6-pentafluorobenzenesulfonate
Names & synonyms
DTXSID6011063882a(2),7a(2)-Difluoro-6a(2)-hydroxy-3-oxospiro[isobenzofuran-1(3H),9a(2)-[9H]xanthen]-3a(2)-yl 2,3,4,5,6-pentafluorobenzenesulfonate728912-49-0
Database identifiers
- CAS
728912-49-0- PubChem CID
- 165367209
- DTXSID
DTXSID601106388
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 3
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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