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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