基本信息 |
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| 产品名称: | SODIUM 3-(2-((Z,2E)-4-[1,3-DIBUTYL-4,6-DIOXO-2-THIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDENE]-2-BUTENYLIDENE)-1,3-BENZOTHIAZOL-3-YL)-1-PROPANESULFONATE |
| CAS: | 54444-09-6 |
| 英文同义词: | 3(2H)-BENZOTHIAZOLEPROPANESULFONIC ACID, 2-[4-(1,3-DIBUTYLTETRAHYDRO-4,6-DIOXO-2-THIOXO-5(2H)-PYRIMIDINYLIDENE)-2-BUTENYLIDENE]-, SODIUM SALT (1:1) ; SODIUM 3-(2-((Z,2E)-4-[1,3-DIBUTYL-4,6-DIOXO-2-THIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDENE]-2-BUTENYLIDENE)-1,3-BENZOTHIAZOL-3-YL)-1-PROPANESULFONATE |
| MDL号: | MFCD06409919 |
| 氢键受体数量: | 8 |
| 氢键供体数量: | 0 |
| Smile: | CCCCN1C(=O)C(=C/C=C/C=C\2/N(c3ccccc3S2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+] |
| InChi: | InChI=1S/C26H33N3O5S3.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)35)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)36-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7+,23-15-; |
| InChiKey: | InChIKey=BGGGVFMWSAISNR-LTHRDKTGSA-M |
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