Basic information
- Standard SMILES
CC(=CCc1c(OS(=O)(=O)C(F)(F)F)c(C)c2c(c1OS(=O)(=O)c1ccc(C)cc1)C(=O)OC2)CCC(=O)[O-]- InChIKey
KRAXNKNBJSLQMP-UHFFFAOYSA-M- Molecular formula
- C24H22F3O10S2-
- Average molar mass
- 591.6 g/mol
- Monoisotopic mass
- 591.06064873
Names & identifiers
- Preferred name
- 6-(1,3-Dihydro-7-methyl-3-oxo-4-p-toluenesulfonyloxy-6-trifluoromethanesulfonyloxy-isobenzofuran-5-yl)-4-methyl-4-hexenoate
- IUPAC
- 4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]hex-4-enoate
Names & synonyms
6-(1,3-dihydro-7-methyl-3-oxo-4-p-toluenesulfonyloxy-6-trifluoromethanesulfonyloxy-isobenzofuran-5-yl)-4-methyl-4-hexenoate
Database identifiers
- PubChem CID
- 86749802
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- -1
- Complexity
- 1,140
Related reactions
1 records
Compound notes
Loading…