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小分子和化合物库
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锡酸钙CAS号: 12013-46-6分子式: CaO3Sn 分子量: 206.77IUPAC Name: calcium;dioxido(oxo)tinSMILES: [O-][Sn](=O)[O-].[Ca+2]InChIKey: HNQGTZYKXIXXST-UHFFFAOYSA-NInChI: 1S/Ca.3O.Sn/q+2;;2*-1;
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铝钴粉CAS号: 11114-55-9分子式: AlCo 分子量: 85.914IUPAC Name: aluminum;cobaltSMILES: [Al].[Co]InChIKey: MDKXFHZSHLHFLN-UHFFFAOYSA-NInChI: 1S/Al.Co
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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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L-亮氨酸-¹³C₆CAS号: 201740-84-3分子式: (13CH3)213CH13CH213CH(NH2)13CO2H 分子量: 137.13IUPAC Name: (2S)-2-amino-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-IQUPZBQQSA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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L-天冬酰胺-¹³C₄一水合物CAS号: 286460-82-0分子式: H2N13CO13CH213CH(NH2)13CO2H·H2O 分子量: 154.1SMILES: [H]O[H].N[13C@@H]([13CH2][13C](N)=O)[13C](O)=OInChIKey: RBMGJIZCEWRQES-KFYBRNFPSA-NInChI: 1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1/i1+1,2+1,3+1,4+1;
