OTAVA-FLUOR OTVD_0240

pro_cas
pro_cdbregno
CCD00911692
pro_formula
C48 H64 N6 S2 . 4 I
pro_molWeight
1296.81

basic_info

Product_Name: OTAVA-FLUOR OTVD_0240
EnglishSynonyms: OTAVA-FLUOR OTVD_0240
pro_mdlNumber: MFCD10001200
pro_acceptors: 6
pro_donors: 0
pro_smile: CN(C)c1ccc(cc1)/C=C/c2[n+](c3ccccc3s2)CCCC[N+](C)(C)CC[N+](C)(C)CCCC[n+]4c5ccccc5sc4/C=C/c6ccc(cc6)N(C)C.[I-].[I-].[I-].[I-]
InChi: InChI=1S/C48H64N6S2.4HI/c1-49(2)41-27-21-39(22-28-41)25-31-47-51(43-17-9-11-19-45(43)55-47)33-13-15-35-53(5,6)37-38-54(7,8)36-16-14-34-52-44-18-10-12-20-46(44)56-48(52)32-26-40-23-29-42(30-24-40)50(3)4;;;;/h9-12,17-32H,13-16,33-38H2,1-8H3;4*1H/q+4;;;;/p-4
InChiKey: InChIKey=OYDXDQQPSVKBEN-UHFFFAOYSA-J

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