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小分子和化合物库
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L-半胱氨酸盐酸盐 一水合物分子式: C3H8ClNO2S.H2O 分子量: 175.63IUPAC Name: (2R)-2-amino-3-sulfanylpropanoic acid;hydrate;hydrochlorideSMILES: O.Cl.N[C@@H](CS)C(O)=OInChIKey: QIJRTFXNRTXDIP-JIZZDEOASA-NInChI: 1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m0../s1
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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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三氯蔗糖分子式: C12H19Cl3O8 分子量: 397.63IUPAC Name: (2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diolSMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)OInChIKey: BAQAVOSOZGMPRM-QBMZZYIRSA-NInChI: 1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
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微晶纤维素分子式: (C6H10O5)nIUPAC Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triolInChIKey: GUBGYTABKSRVRQ-WFVLMXAXSA-NInChI: 1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1
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