Basic Information |
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Product Name: | ECHELON C-39F6 |
English Synonyms: | ECHELON C-39F6 |
MDL Number.: | MFCD19705446 |
H bond acceptor: | 26 |
H bond donor: | 10 |
Smile: | [B-]1(n2c(ccc2CCCCC(=O)NCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H]([C@H]3O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCC)C=C4[N+]1=C(C=C4C)C)(F)F.CCN(CC)CC |
InChi: | InChI=1S/C37H60BF2N3O23P4.C6H15N/c1-4-5-7-15-31(46)62-27(22-61-70(58,59)66-34-32(47)35(63-67(49,50)51)37(65-69(55,56)57)36(33(34)48)64-68(52,53)54)21-60-30(45)14-8-6-11-18-41-29(44)13-10-9-12-25-16-17-26-20-28-23(2)19-24(3)42(28)38(39,40)43(25)26;1-4-7(5-2)6-3/h16-17,19-20,27,32-37,47-48H,4-15,18,21-22H2,1-3H3,(H,41,44)(H,58,59)(H2,49,50,51)(H2,52,53,54)(H2,55,56,57);4-6H2,1-3H3/t27-,32+,33+,34-,35+,36-,37-;/m1./s1 |
InChiKey: | InChIKey=SASXDWYAHXPJFF-LWVGAKFDSA-N |
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