小分子和化合物库
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硼化铬(III)CAS号: 12006-79-0分子式: BCr 分子量: 62.81IUPAC Name: boranylidynechromiumSMILES: B#[Cr]InChIKey: NUEWEVRJMWXXFB-UHFFFAOYSA-NInChI: 1S/B.Cr
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分散蓝359CAS号: 62570-50-7分子式: C17H13N3O2 分子量: 291.31IUPAC Name: 1-amino-4-(ethylamino)-9,10-dioxoanthracene-2-carbonitrileSMILES: CCNC1=C2C(=C(C(=C1)C#N)N)C(=O)C3=CC=CC=C3C2=OInChIKey: ATXPWKWYLDEURI-UHFFFAOYSA-NInChI: 1S/C17H13N3O2/c1-2-20-12-7-9(8-18)15(19)14-13(12)16(21)10-5-3-4-6-11(10)17(14)22/h3-7,20H,2,19H2,1H3
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氯化锂 水合物CAS号: 85144-11-2分子式: LiCI·H2O 分子量: 60.41IUPAC Name: lithium;chloride;hydrateSMILES: [Li+].O.[Cl-]InChIKey: VXJIMUZIBHBWBV-UHFFFAOYSA-MInChI: 1S/ClH.Li.H2O/h1H;;1H2/q;+1;/p-1
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D-糖酸钙四水合物CAS号: 5793-89-5分子式: C6H8CaO8·4H2O 分子量: 320.3IUPAC Name: calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]InChIKey: ZQWFSIZRQANUDA-WQMSYZFBSA-LInChI: 1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
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丙酮二酸钠 一水合物分子式: C3H2Na2O6 分子量: 180.02IUPAC Name: disodium;2,2-dihydroxypropanedioateSMILES: C(=O)(C(C(=O)[O-])(O)O)[O-].[Na+].[Na+]InChIKey: HMBGDJCPFGQLIO-UHFFFAOYSA-LInChI: 1S/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2
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