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SMILES: CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CCC([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C.C(=C\C(=O)O)/C(=O)O Canonical SMILES: OC(=O)/C=C/C(=O)O.CCN(CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@@H]([C@]23[C@H]([C@@]1(C)C(C)CC2)C(=O)CC3)C)CC InChI: InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/t19?,20-,22+,24-,25-,26+,27-,28-;/m0./s1 InChIKey: YXQXDXAHCSEVSD-LSSDYKEOSA-N
CBID:157985 http://www.chembase.cn/molecule-157985.html