小分子和化合物库
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柠檬黄分子式: C16H9N4Na3O9S2 分子量: 534.36IUPAC Name: trisodium;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylateSMILES: C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]InChIKey: UJMBCXLDXJUMFB-UHFFFAOYSA-KInChI: 1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
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马拉硫磷-d6CAS号: 1189877-72-2分子式: C10H13D6O6PS2 分子量: 336.39IUPAC Name: diethyl 2-[bis(trideuteriomethoxy)phosphinothioylsulfanyl]butanedioateSMILES: CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OCInChIKey: JXSJBGJIGXNWCI-LIJFRPJRSA-NInChI: 1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/i3D3,4D3
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L-甲硫氨酸-¹³C₅,¹⁵NCAS号: 202468-47-1分子式: 13CH3S13CH213CH213CH(15NH2)13CO2H 分子量: 155.17SMILES: [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](O)=OInChIKey: FFEARJCKVFRZRR-XAFSXMPTSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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