基本信息 |
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| 产品名称: | THYMOLPHTHALEIN COMPLEXONE SODIUM SALT |
| CAS: | 85409-48-9 |
| 英文同义词: | THYMOLPHTHALEIN COMPLEXONE SODIUM SALT ; THYMOLPHTHALEIN COMPLEXONE DISODIUM SALT |
| MDL号: | MFCD00065993 |
| 氢键受体数量: | 14 |
| 氢键供体数量: | 5 |
| Smile: | Cc1c(cc(c(c1CN(CC(=O)O)CC(=O)O)O)C(C)C)C2(c3ccccc3C(=O)O2)c4cc(c(c(c4C)CN(CC(=O)O)CC(=O)[O-])O)C(C)C.[Na+] |
| InChi: | InChI=1S/C38H44N2O12.Na/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48;/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);/q;+1/p-1 |
| InChiKey: | InChIKey=MXUYBRLIRUUWCC-UHFFFAOYSA-M |
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