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小分子和化合物库
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水合硝酸铝CAS号: 25838-59-9分子式: Al(NO3)3·xH2O 分子量: 212.99(anhy)IUPAC Name: aluminum;trinitrate;hydrateSMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Al+3]InChIKey: ZZCONUBOESKGOK-UHFFFAOYSA-NInChI: 1S/Al.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;
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咪鲜安CAS号: 67747-09-5 EC号: 266-994-5分子式: C15H16Cl3N3O2 分子量: 376.67IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamideSMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-NInChI: 1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
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乙二胺四乙酸二钠,二水分子式: C10H14N2Na2O8·2H2O 分子量: 372.24IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrateSMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[Na+].[Na+]InChIKey: OVBJJZOQPCKUOR-UHFFFAOYSA-LInChI: 1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
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乙酸苯酯-d5CAS号: 22705-26-6分子式: C8H3D5O2 分子量: 141.18IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl) acetateSMILES: CC(=O)OC1=CC=CC=C1InChIKey: IPBVNPXQWQGGJP-VIQYUKPQSA-NInChI: 1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3/i2D,3D,4D,5D,6D
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盐酸环丙沙星-d8CAS号: 1216659-54-9分子式: C17H11D8ClFN3O3 分子量: 375.85IUPAC Name: 1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochlorideSMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.ClInChIKey: DIOIOSKKIYDRIQ-JCYLEXHWSA-NInChI: 1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H/i3D2,4D2,5D2,6D2;
