Catalog | OFC1384452612 |
CAS | 1384452-61-2 |
Category | Trifluoromethylation Agents |
Synonyms | 2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-fluoro-4H-3,5-dithia-4-aza-3H-cyclohepta[2,1-a:3,4-a']dinaphthalene 3,3,5,5-tetraoxide |
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InChI | InChI=1S/C36H16F13NO4S2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)56(53,54)50(49)55(51,52)31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16H |
InChI Key | WABUBAMFHAEZLJ-UHFFFAOYSA-N |
Canonical SMILES | O=S1(=O)c2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc3c2-c2c(c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc23)S(=O)(=O)N1F |
Molecular Formula | C36H16F13NO4S2 |
Molecular Weight | 837.635 |
Boiling Point | 782.3 °C |
Density | 1.72 g/cm3 |
Exact Mass | 837.0313 |
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