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硝苯地平CAS号 : 21829-25-4 Compound CID : 4485分子式: C17H18N2O6 分子量: 346.33IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCInChIKey: HYIMSNHJOBLJNT-UHFFFAOYSA-NInChI: InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
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双(4-叔丁苯基)碘鎓六氟磷酸盐CAS号 : 61358-25-6 Compound CID : 13906852分子式: C20H26F6IP 分子量: 538.29IUPAC Name: bis(4-tert-butylphenyl)iodanium;hexafluorophosphateSMILES: CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.F[P-](F)(F)(F)(F)FInChIKey: CJLLNCQWBHTSCB-UHFFFAOYSA-NInChI: InChI=1S/C20H26I.F6P/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-7(2,3,4,5)6/h7-14H,1-6H3;/q+1;-1
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2-苄基-2-二甲基氨基-1-(4-吗啉苯基)丁酮CAS号 : 119313-12-1 Compound CID : 86171分子式: C23H30N2O2 分子量: 366.5IUPAC Name: 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-oneSMILES: CCC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)CInChIKey: UHFFVFAKEGKNAQ-UHFFFAOYSA-NInChI: InChI=1S/C23H30N2O2/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3
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2-羟基-4’-(2-羟乙氧基)-2-甲基苯丙酮CAS号 : 106797-53-9 Compound CID : 86266分子式: HOCH2CH2OC6H4COC(CH3)2OH 分子量: 224.25IUPAC Name: 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-oneSMILES: CC(C)(C(=O)C1=CC=C(C=C1)OCCO)OInChIKey: GJKGAPPUXSSCFI-UHFFFAOYSA-NInChI: InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3
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N,N-双(3,5-二叔丁基亚水杨基)-1,1,2,2-四甲基乙二胺CAS号 : 351498-10-7 Compound CID : 135404188分子式: C36H56N2O2 分子量: 548.86IUPAC Name: 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenolSMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC(C)(C)C(C)(C)N=CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)OInChIKey: ZTDNTQMYPZYXNP-UHFFFAOYSA-NInChI: InChI=1S/C36H56N2O2/c1-31(2,3)25-17-23(29(39)27(19-25)33(7,8)9)21-37-35(13,14)36(15,16)38-22-24-18-26(32(4,5)6)20-28(30(24)40)34(10,11)12/h17-22,39-40H,1-16H3
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2,2'-偶氮双[2-(2-咪唑啉-2-基)丙烷]二盐酸盐CAS号 : 27776-21-2 Compound CID : 9949101分子式: C12H22N6·2HCl 分子量: 323.27IUPAC Name: bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;dihydrochlorideSMILES: CC(C)(C1=NCCN1)N=NC(C)(C)C2=NCCN2.Cl.ClInChIKey: LBSPZZSGTIBOFG-UHFFFAOYSA-NInChI: InChI=1S/C12H22N6.2ClH/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;/h5-8H2,1-4H3,(H,13,14)(H,15,16);2*1H
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4-羟基-3-硝基苯胂酸分子式: C6H6AsNO6 分子量: 263.04IUPAC Name: (4-hydroxy-3-nitrophenyl)arsonic acidSMILES: C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])OInChIKey: XMVJITFPVVRMHC-UHFFFAOYSA-NInChI: InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)
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2-(4-甲氧基苯乙烯基)-4,6-双(三氯甲基)-1,3,5-三嗪CAS号 : 42573-57-9 Compound CID : 6014381分子式: C14H9Cl6N3O 分子量: 447.95IUPAC Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazineSMILES: COC1=CC=C(C=C1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)ClInChIKey: MCNPOZMLKGDJGP-QPJJXVBHSA-NInChI: InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3/b7-4+
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2-(4-甲氧苯基)-4,6-双(三氯甲基) -1,3,5-三嗪分子式: C12H7Cl6N3O 分子量: 421.91IUPAC Name: 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazineSMILES: COC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)ClInChIKey: QRHHZFRCJDAUNA-UHFFFAOYSA-NInChI: InChI=1S/C12H7Cl6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3
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2-(9-氧代占吨-2-基)丙酸1,5-二氮杂二环[4.3.0]壬-5-烯盐CAS号 : 1346753-04-5 Compound CID : 134128833分子式: C23H24N2O4 分子量: 392.46IUPAC Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;2-(9-oxoxanthen-2-yl)propanoic acidSMILES: CC(C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)C(=O)O.C1CC2=NCCCN2C1InChIKey: OQEMAQQKYSJWQK-UHFFFAOYSA-NInChI: InChI=1S/C16H12O4.C7H12N2/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-14;1-3-7-8-4-2-6-9(7)5-1/h2-9H,1H3,(H,18,19);1-6H2
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四丁酸核黄素酯分子式: C33H44N4O10 分子量: 656.73IUPAC Name: [(2R,3S,4S)-2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoateSMILES: CCCC(=O)OCC(C(C(CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)OC(=O)CCC)OC(=O)CCC)OC(=O)CCCInChIKey: MJNIWUJSIGSWKK-BBANNHEPSA-NInChI: InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)/t23-,24+,30-/m0/s1
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三苯基二醋酸锑分子式: C22H21O4Sb 分子量: 471.17IUPAC Name: [acetyloxy(triphenyl)-λ5-stibanyl] acetateSMILES: CC(=O)O[Sb](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)CInChIKey: MPOFCRCFZPKTCF-UHFFFAOYSA-LInChI: InChI=1S/3C6H5.2C2H4O2.Sb/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2