OTAVA-FLUOR OTVD_0241

pro_cas
pro_cdbregno
CCD00911693
pro_formula
C49 H66 N6 S2 . 4 I
pro_molWeight
1310.83

basic_info

Product_Name: OTAVA-FLUOR OTVD_0241
EnglishSynonyms: OTAVA-FLUOR OTVD_0241
pro_mdlNumber: MFCD10001201
pro_acceptors: 6
pro_donors: 0
pro_smile: CN(C)c1ccc(cc1)/C=C/c2[n+](c3ccccc3s2)CCCC[N+](C)(C)CCC[N+](C)(C)CCCC[n+]4c5ccccc5sc4/C=C/c6ccc(cc6)N(C)C.[I-].[I-].[I-].[I-]
InChi: InChI=1S/C49H66N6S2.4HI/c1-50(2)42-28-22-40(23-29-42)26-32-48-52(44-18-9-11-20-46(44)56-48)34-13-15-36-54(5,6)38-17-39-55(7,8)37-16-14-35-53-45-19-10-12-21-47(45)57-49(53)33-27-41-24-30-43(31-25-41)51(3)4;;;;/h9-12,18-33H,13-17,34-39H2,1-8H3;4*1H/q+4;;;;/p-4
InChiKey: InChIKey=FTWRAYPYFAHTSD-UHFFFAOYSA-J

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