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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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多巴胺盐酸盐-d4CAS号: 203633-19-6分子式: C8H7D4NO2·HCl 分子量: 193.66IUPAC Name: 4-(2-amino-1,1,2,2-tetradeuterioethyl)benzene-1,2-diol;hydrochlorideSMILES: C1=CC(=C(C=C1CCN)O)O.ClInChIKey: CTENFNNZBMHDDG-URZLSVTISA-NInChI: 1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H/i3D2,4D2;
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苯妥英-d10CAS号: 65854-97-9分子式: C15H2D10N2O2 分子量: 262.33IUPAC Name: 5,5-bis(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dioneSMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3InChIKey: CXOFVDLJLONNDW-LHNTUAQVSA-NInChI: 1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
