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小分子和化合物库
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2,4,6-三甲基苯磺酰羟胺CAS号: 36016-40-7分子式: C9H13NO3S 分子量: 215.27IUPAC Name: amino 2,4,6-trimethylbenzenesulfonateSMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)ON)CInChIKey: CHKQALUEEULCPZ-UHFFFAOYSA-NInChI: 1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(11,12)13-10/h4-5H,10H2,1-3H3
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Nifursol-¹⁵N2,d2CAS号: 1246833-64-6分子式: C12H5D2N3¹⁵N2O9 分子量: 369.21IUPAC Name: N-[(E)-(3,4-dideuterio-5-nitrofuran-2-yl)methylideneamino]-2-hydroxy-3,5-dinitro(15N)benzamideSMILES: C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OInChIKey: XXUXXCZCUGIGPP-QGMBFAGFSA-NInChI: 1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)/b13-5+/i1D,2D,13+1,14+1
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4-羟基-TEMPO-d₁₇CAS号: 100326-46-3分子式: C9H18NO2 分子量: 189.35SMILES: CC1(CC(CC(N1[O])(C)C)O)CInChIKey: UZFMOKQJFYMBGY-DEMDKEALSA-NInChI: 1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D
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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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L-色氨酸-¹⁵N₂CAS号: 204634-20-8分子式: C11H12N2O2 分子量: 206.21IUPAC Name: (2S)-2-(15N)azanyl-3-(1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-BGQAPUEUSA-NInChI: 1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i12+1,13+1
