基本信息 |
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产品名称: | DIBENZOYL THIAMINE HYDROCHLORIDE |
CAS: | 2105-44-4 |
英文同义词: | DIBENZOYL THIAMINE HYDROCHLORIDE |
MDL号: | MFCD01656853 |
氢键受体数量: | 8 |
氢键供体数量: | 1 |
Smile: | Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOC(=O)c2ccccc2)\SC(=O)c3ccccc3)/C.Cl |
InChi: | InChI=1S/C26H26N4O4S.ClH/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20;/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29);1H/b23-18-; |
InChiKey: | InChIKey=DDEDPQYNISJXLF-XTMYEIJHSA-N |
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