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胆固醇分子式: C27H46O 分子量: 386.65IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-NInChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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1,4-双(4-氨基-2-三氟甲基苯氧基)苯CAS号: 94525-05-0分子式: C20H14F6N2O2 分子量: 428.33IUPAC Name: 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)anilineSMILES: C1=CC(=CC=C1OC2=C(C=C(C=C2)N)C(F)(F)F)OC3=C(C=C(C=C3)N)C(F)(F)FInChIKey: LACZRKUWKHQVKS-UHFFFAOYSA-NInChI: 1S/C20H14F6N2O2/c21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26/h1-10H,27-28H2
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苄胺氢溴酸盐CAS号: 37488-40-7分子式: C7H9N·HBr 分子量: 188.07IUPAC Name: phenylmethanamine;hydrobromideSMILES: C1=CC=C(C=C1)CN.BrInChIKey: QJFMCHRSDOLMHA-UHFFFAOYSA-NInChI: 1S/C7H9N.BrH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
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胆固醇丁基碳酸酯CAS号: 41371-14-6分子式: C32H54O3 分子量: 486.78IUPAC Name: butyl [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonateSMILES: CCCCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CInChIKey: PHGPOYKRNJWODC-PTHRTHQKSA-NInChI: 1S/C32H54O3/c1-7-8-20-34-30(33)35-25-16-18-31(5)24(21-25)12-13-26-28-15-14-27(23(4)11-9-10-22(2)3)32(28,6)19-17-29(26)31/h12,22-23,25-29H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
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3,3'-二氯-4,4'-二异氰酸酯联苯CAS号: 5331-87-3分子式: C14H6Cl2N2O2 分子量: 305.11IUPAC Name: 2-chloro-4-(3-chloro-4-isocyanatophenyl)-1-isocyanatobenzeneSMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N=C=O)Cl)Cl)N=C=OInChIKey: JITXMLLVGWGFGV-UHFFFAOYSA-NInChI: 1S/C14H6Cl2N2O2/c15-11-5-9(1-3-13(11)17-7-19)10-2-4-14(18-8-20)12(16)6-10/h1-6H
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5,5'''-二癸基-2,2':5',2'':5'',2'''-四噻吩CAS号: 514188-77-3分子式: C36H50S4 分子量: 611.04IUPAC Name: 2-decyl-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiopheneSMILES: CCCCCCCCCCC1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)CCCCCCCCCCInChIKey: IYCHXHNXTBDCNT-UHFFFAOYSA-NInChI: 1S/C36H50S4/c1-3-5-7-9-11-13-15-17-19-29-21-23-31(37-29)33-25-27-35(39-33)36-28-26-34(40-36)32-24-22-30(38-32)20-18-16-14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3
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exo-DNTT-PMI (DNTT-前体)CAS号: 1269669-43-3分子式: C32H19NO2S2 分子量: 513.63IUPAC Name: 27-phenyl-4,16-dithia-27-azaoctacyclo[16.6.5.02,17.03,15.05,14.07,12.019,24.025,29]nonacosa-2(17),3(15),5,7,9,11,13,19,21,23-decaene-26,28-dioneSMILES: C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=C4SC7=C6SC8=CC9=CC=CC=C9C=C87InChIKey: FPMSTHBKYOHKKO-UHFFFAOYSA-NInChI: 1S/C32H19NO2S2/c34-31-25-23-19-12-6-7-13-20(19)24(26(25)32(35)33(31)18-10-2-1-3-11-18)29-27(23)30-28(37-29)21-14-16-8-4-5-9-17(16)15-22(21)36-30/h1-15,23-26H
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4,4'-异亚丙基二苯氧基乙酸CAS号: 3539-42-2分子式: C19H20O6 分子量: 344.36IUPAC Name: 2-[4-[2-[4-(carboxymethoxy)phenyl]propan-2-yl]phenoxy]acetic acidSMILES: CC(C)(C1=CC=C(C=C1)OCC(=O)O)C2=CC=C(C=C2)OCC(=O)OInChIKey: ZYGPJSLWIIMUMO-UHFFFAOYSA-NInChI: 1S/C19H20O6/c1-19(2,13-3-7-15(8-4-13)24-11-17(20)21)14-5-9-16(10-6-14)25-12-18(22)23/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23)
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19-马来酰亚胺基-17-氧-4,7,10,13-四氧杂-16-氮十九酸CAS号: 1263045-16-4分子式: C18H28N2O9 分子量: 416.43IUPAC Name: 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acidSMILES: C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)OInChIKey: IAJVEYLYYHOZEY-UHFFFAOYSA-NInChI: 1S/C18H28N2O9/c21-15(3-6-20-16(22)1-2-17(20)23)19-5-8-27-10-12-29-14-13-28-11-9-26-7-4-18(24)25/h1-2H,3-14H2,(H,19,21)(H,24,25)
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1-甲氧基-5-甲基吩嗪硫酸甲酯盐CAS号: 65162-13-2分子式: C15H16N2O5S 分子量: 336.36IUPAC Name: 1-methoxy-5-methylphenazin-5-ium;methyl sulfateSMILES: C[N+]1=C2C=CC=C(C2=NC3=CC=CC=C31)OC.COS(=O)(=O)[O-]InChIKey: MASUWVVNWALEEM-UHFFFAOYSA-MInChI: 1S/C14H13N2O.CH4O4S/c1-16-11-7-4-3-6-10(11)15-14-12(16)8-5-9-13(14)17-2;1-5-6(2,3)4/h3-9H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
