(11BS)-2,6-BIS[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]HYDROXYMETHYL]-3,5-DIHYDROSPIRO[4H-DINAPHTH[2,1-C:1',2'-E]AZEPINE-4,4'-MORPHOLINIUM]BROMIDE

pro_cas
1197922-04-5
pro_cdbregno
CCD07507100
pro_formula
C60 H36 F24 N O3 . Br
pro_molWeight
1354.8

basic_info

Product_Name: (11BS)-2,6-BIS[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]HYDROXYMETHYL]-3,5-DIHYDROSPIRO[4H-DINAPHTH[2,1-C:1',2'-E]AZEPINE-4,4'-MORPHOLINIUM]BROMIDE
CAS: 1197922-04-5
EnglishSynonyms: (11BS)-2,6-BIS[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]HYDROXYMETHYL]-3,5-DIHYDROSPIRO[4H-DINAPHTH[2,1-C:1',2'-E]AZEPINE-4,4'-MORPHOLINIUM]BROMIDE
pro_mdlNumber: MFCD22581438
pro_acceptors: 4
pro_donors: 2
pro_smile: c1ccc2c(c1)cc(c3c2-c4c5ccccc5cc(c4C[N+]6(C3)CCOCC6)C(c7cc(cc(c7)C(F)(F)F)C(F)(F)F)(c8cc(cc(c8)C(F)(F)F)C(F)(F)F)O)C(c9cc(cc(c9)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O.[Br-]
InChi: InChI=1S/C60H36F24NO3.BrH/c61-53(62,63)35-15-31(16-36(23-35)54(64,65)66)51(86,32-17-37(55(67,68)69)24-38(18-32)56(70,71)72)47-13-29-5-1-3-7-43(29)49-45(47)27-85(9-11-88-12-10-85)28-46-48(14-30-6-2-4-8-44(30)50(46)49)52(87,33-19-39(57(73,74)75)25-40(20-33)58(76,77)78)34-21-41(59(79,80)81)26-42(22-34)60(82,83)84;/h1-8,13-26,86-87H,9-12,27-28H2;1H/q+1;/p-1
InChiKey: InChIKey=UVHZWWMJSAGSJH-UHFFFAOYSA-M

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