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小分子和化合物库
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氯己定分子式: C22H30Cl2N10 分子量: 505.45IUPAC Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidineSMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)ClInChIKey: GHXZTYHSJHQHIJ-UHFFFAOYSA-NInChI: 1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
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L-胱氨酸分子式: C6H12N2O4S2 分子量: 240.3IUPAC Name: (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acidSMILES: C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)NInChIKey: LEVWYRKDKASIDU-IMJSIDKUSA-NInChI: 1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
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L-胱氨酸分子式: C6H12N2O4S2 分子量: 240.3IUPAC Name: (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acidSMILES: C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)NInChIKey: LEVWYRKDKASIDU-IMJSIDKUSA-NInChI: 1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
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烯唑醇CAS号: 83657-24-3分子式: C15H17Cl2N3O 分子量: 326.22IUPAC Name: (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-olSMILES: CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)OInChIKey: FBOUIAKEJMZPQG-AWNIVKPZSA-NInChI: 1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+
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邻苯二甲酸二异壬酯（DINP）CAS号: 28553-12-0分子式: C26H42O4 分子量: 418.61IUPAC Name: bis(7-methyloctyl) benzene-1,2-dicarboxylateSMILES: CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)CInChIKey: HBGGXOJOCNVPFY-UHFFFAOYSA-NInChI: 1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
