basic_info |
|
| Product_Name: | COUMARIN-5-DUTP |
| EnglishSynonyms: | COUMARIN-5-DUTP |
| pro_mdlNumber: | MFCD00235481 |
| pro_acceptors: | 21 |
| pro_donors: | 8 |
| pro_smile: | O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=C(C#CCNC(=O)C2=CC3=C(OC2=O)C=C(O)C=C3)C(=O)NC1=O |
| InChi: | InChI=1S/C22H22N3O18P3/c26-13-4-3-11-6-14(21(30)41-16(11)7-13)20(29)23-5-1-2-12-9-25(22(31)24-19(12)28)18-8-15(27)17(40-18)10-39-45(35,36)43-46(37,38)42-44(32,33)34/h3-4,6-7,9,15,17-18,26-27H,5,8,10H2,(H,23,29)(H,35,36)(H,37,38)(H,24,28,31)(H2,32,33,34)/t15-,17+,18+/m0/s1 |
| InChiKey: | InChIKey=URMHRNJZECQAER-CGTJXYLNSA-N |
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