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SMILES: C(C(CC(=O)O)(O)C(=O)O)C(=O)O.c1cc(ccc1/C(=C(\c1ccccc1)/Cl)/c1ccccc1)OCCN(CC)CC Canonical SMILES: OC(=O)CC(C(=O)O)(CC(=O)O)O.CCN(CCOc1ccc(cc1)/C(=C(\c1ccccc1)/Cl)/c1ccccc1)CC InChI: InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+; InChIKey: PYTMYKVIJXPNBD-BTKVJIOYSA-N
CBID:164872 http://www.chembase.cn/molecule-164872.html