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小分子和化合物库
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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
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β-雌二醇分子式: C18H24O2 分子量: 272.38IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diolSMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OInChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-NInChI: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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乙二胺四乙酸分子式: C10H16N2O8 分子量: 292.24IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acidSMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)OInChIKey: KCXVZYZYPLLWCC-UHFFFAOYSA-NInChI: 1S/C10H16N2O8/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)
