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阿哌沙班CAS号: 503612-47-3 EC号: 639-684-6分子式: C25H25N5O4 分子量: 459.51IUPAC Name: 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamideSMILES: COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)NInChIKey: QNZCBYKSOIHPEH-UHFFFAOYSA-NInChI: 1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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邻苯二甲酸二辛酯（DOP）分子式: C24H38O4 分子量: 390.56IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylateSMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCCInChIKey: BJQHLKABXJIVAM-UHFFFAOYSA-NInChI: 1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
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5(S)-HETE-d8CAS号: 330796-62-8分子式: C20H24D8O3 分子量: 328.52IUPAC Name: (5S,6E,8Z,11Z,14Z)-5,6,8,9,11,12,14,15-octadeuterio-5-hydroxyicosa-6,8,11,14-tetraenoic acidSMILES: CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)OInChIKey: KGIJOOYOSFUGPC-IWMWOOIASA-NInChI: 1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1/i6D,7D,9D,10D,12D,13D,16D,19D
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8-姜烯酚CAS号: 36700-45-5分子式: C19H28O3 分子量: 304.42IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-oneSMILES: CCCCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OCInChIKey: LGZSMXJRMTYABD-MDZDMXLPSA-NInChI: 1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-10,12,14-15,21H,3-8,11,13H2,1-2H3/b10-9+
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CL2E-SN38 TFA分子式: C89H117F3N14O26 分子量: 1855.95
