Name: | 3-([(2R)-2-(HYDROXYMETHYL)-2,3-DIHYDRO-1H-INDEN-4-YL]OXY)PHENYL 4,4,4-TRIFLUOROBUTANE-1-SULFONATE |
CAS: | 212188-60-8 |
Synonyms: | KN-38-7271 ; 3-([(2R)-2-(HYDROXYMETHYL)-2,3-DIHYDRO-1H-INDEN-4-YL]OXY)PHENYL 4,4,4-TRIFLUOROBUTANE-1-SULFONATE |
MDL.: | MFCD05260690 |
H bond acceptor: | 5 |
H bond donor: | 1 |
Smile: | c1cc(cc(c1)OS(=O)(=O)CCCC(F)(F)F)Oc2cccc3c2C[C@@H](C3)CO |
InChi: | InChI=1S/C20H21F3O5S/c21-20(22,23)8-3-9-29(25,26)28-17-6-2-5-16(12-17)27-19-7-1-4-15-10-14(13-24)11-18(15)19/h1-2,4-7,12,14,24H,3,8-11,13H2/t14-/m1/s1 |
InChiKey: | InChIKey=XJURALZPEJKKOV-CQSZACIVSA-N |
3-([(2R)-2-(HYDROXYMETHYL)-2,3-DIHYDRO-1H-INDEN-4-YL]OXY)PHENYL 4,4,4-TRIFLUOROBUTANE-1-SULFONATE
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