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SMILES: CCC1=C(C2Cc3c(c(c4n3[Mg]N3C(CC1N2)C(C1C3C(C2NC(C4)[C@H]([C@@H]2CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C1=O)C(=O)OC)C)C)C=C)C Canonical SMILES: COC(=O)[C@H]1C(=O)C2C3C1C1NC([C@H]([C@@H]1CCC(=O)OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)C)Cc1n4[Mg]N3C(C2C)CC2NC(Cc4c(c1C)C=C)C(=C2CC)C InChI: InChI=1S/C55H86N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,31-33,37-38,41,43-45,47,49-53,57-58H,1,14-25,27-30H2,2-12H3;/q-2;+2/t32-,33-,37+,38?,41+,43?,44?,45?,47?,49?,50?,51-,52?,53?;/m1./s1 InChIKey: MFJSZVRGQXHOFG-NGZCNJRISA-N
CBID:155438 http://www.chembase.cn/molecule-155438.html