OTAVA-FLUOR OTVD_0243

pro_cas
pro_cdbregno
CCD00911695
pro_formula
C48 H60 N6 S2 . 4 I
pro_molWeight
1292.78

basic_info

Product_Name: OTAVA-FLUOR OTVD_0243
EnglishSynonyms: OTAVA-FLUOR OTVD_0243
pro_mdlNumber: MFCD10001203
pro_acceptors: 6
pro_donors: 0
pro_smile: CN(C)c1ccc(cc1)/C=C/c2[n+](c3ccccc3s2)CCCC[N+]45CC[N+](CC4)(CC5)CCCC[n+]6c7ccccc7sc6/C=C/c8ccc(cc8)N(C)C.[I-].[I-].[I-].[I-]
InChi: InChI=1S/C48H60N6S2.4HI/c1-49(2)41-23-17-39(18-24-41)21-27-47-51(43-13-5-7-15-45(43)55-47)29-9-11-31-53-33-36-54(37-34-53,38-35-53)32-12-10-30-52-44-14-6-8-16-46(44)56-48(52)28-22-40-19-25-42(26-20-40)50(3)4;;;;/h5-8,13-28H,9-12,29-38H2,1-4H3;4*1H/q+4;;;;/p-4
InChiKey: InChIKey=JDICNZVUQPEYJD-UHFFFAOYSA-J

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