基本信息 |
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产品名称: | 3,6-BIS(DIETHYLAMINO)-9-[2-[[[4-[[4-[[[(3',6'-DIHYDROXY-3-OXOSPIRO[ISOBENZOFURAN-1(3H),9'-[9H]XANTHEXANTHYLIUM |
CAS: | 928315-82-6 |
英文同义词: | XANTHYLIUM, 3,6-BIS(DIETHYLAMINO)-9-[2-[[[4-[[4-[[[(3',6'-DIHYDROXY-3-OXOSPIRO[ISOBENZOFURAN-1(3H),9'-[9H]XANTHEN]-5-YL)AMINO]THIOXOMETHYL]AMINO]PHENYL]DITHIO]PHENYL]AMINO]CARBONYL]PHENYL]- ; 3,6-BIS(DIETHYLAMINO)-9-[2-[[[4-[[4-[[[(3',6'-DIHYDROXY-3-OXOSPIRO[ISOBENZOFURAN-1(3H),9'-[9H]XANTHEXANTHYLIUM |
MDL号: | MFCD17215510 |
氢键受体数量: | 12 |
氢键供体数量: | 5 |
Smile: | CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(=O)Nc5ccc(cc5)SSc6ccc(cc6)NC(=S)Nc7ccc8c(c7)C(=O)OC89c1ccc(cc1Oc1c9ccc(c1)O)O)N(CC)CC |
InChi: | InChI=1S/C61H51N5O7S3/c1-5-65(6-2)39-18-26-47-53(32-39)71-54-33-40(66(7-3)8-4)19-27-48(54)57(47)45-11-9-10-12-46(45)58(69)62-36-13-22-43(23-14-36)75-76-44-24-15-37(16-25-44)63-60(74)64-38-17-28-50-49(31-38)59(70)73-61(50)51-29-20-41(67)34-55(51)72-56-35-42(68)21-30-52(56)61/h9-35H,5-8H2,1-4H3,(H4-,62,63,64,67,68,69,74)/p+1 |
InChiKey: | InChIKey=LIKFNCFCVGGQEQ-UHFFFAOYSA-O |
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