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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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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1-苄基-3-苯基硫脲CAS号: 726-25-0分子式: C14H14N2S 分子量: 242.34IUPAC Name: 1-benzyl-3-phenylthioureaSMILES: C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2InChIKey: NXCBDDGSOXJEFZ-UHFFFAOYSA-NInChI: 1S/C14H14N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
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2,6-二甲基苯胺盐酸盐CAS号: 21436-98-6分子式: C8H11N·HCl 分子量: 157.64IUPAC Name: 2,6-dimethylaniline;hydrochlorideSMILES: CC1=C(C(=CC=C1)C)N.ClInChIKey: QNWMFJDRMZWZNN-UHFFFAOYSA-NInChI: 1S/C8H11N.ClH/c1-6-4-3-5-7(2)8(6)9;/h3-5H,9H2,1-2H3;1H
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甲氯芬那酸钠分子式: C14H10Cl2NNaO2 分子量: 318.13IUPAC Name: sodium;2-(2,6-dichloro-3-methylanilino)benzoateSMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.[Na+]InChIKey: OGPIIGMUPMPMNT-UHFFFAOYSA-MInChI: 1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1
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