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1-甲基-3-辛基氯化咪唑鎓（OMIMCl）CAS号: 64697-40-1分子式: C12H23ClN2 分子量: 230.78IUPAC Name: 1-methyl-3-octylimidazol-1-ium;chlorideSMILES: CCCCCCCCN1C=C[N+](=C1)C.[Cl-]InChIKey: OXFBEEDAZHXDHB-UHFFFAOYSA-MInChI: 1S/C12H23N2.ClH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1
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辛伐他汀CAS号: 79902-63-9 Compound CID : 54454分子式: C25H38O5 分子量: 418.57IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoateSMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CInChIKey: RYMZZMVNJRMUDD-HGQWONQESA-NInChI: 1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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1,3-双[5-(4-叔丁基苯基)-2-[1,3,4]恶二唑基]苯CAS号: 138372-67-5分子式: C30H30N4O2 分子量: 478.6IUPAC Name: 2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazoleSMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)C4=NN=C(O4)C5=CC=C(C=C5)C(C)(C)CInChIKey: FQJQNLKWTRGIEB-UHFFFAOYSA-NInChI: 1S/C30H30N4O2/c1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6/h7-18H,1-6H3
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二[2-[(氧代)二苯基膦基]苯基]醚CAS号: 808142-23-6分子式: C36H28O3P2 分子量: 570.56IUPAC Name: 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzeneSMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4P(=O)(C5=CC=CC=C5)C6=CC=CC=C6InChIKey: ATTVYRDSOVWELU-UHFFFAOYSA-NInChI: 1S/C36H28O3P2/c37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
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香豆素545CAS号: 85642-11-1分子式: C22H18N2O2S 分子量: 374.46IUPAC Name: 5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-oneSMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1InChIKey: WYZWJLZUSHFFOR-UHFFFAOYSA-NInChI: 1S/C22H18N2O2S/c25-22-16(21-23-17-7-1-2-8-18(17)27-21)12-14-11-13-5-3-9-24-10-4-6-15(19(13)24)20(14)26-22/h1-2,7-8,11-12H,3-6,9-10H2
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3-(二苯氨基)二苯并[g,p]稠二萘CAS号: 1397202-77-5分子式: C38H25N 分子量: 495.63IUPAC Name: N,N-diphenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaen-5-amineSMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C84InChIKey: UNHRFJSSMJBBLW-UHFFFAOYSA-NInChI: 1S/C38H25N/c1-3-13-26(14-4-1)39(27-15-5-2-6-16-27)28-23-24-35-36(25-28)31-19-9-12-22-34(31)37-32-20-10-7-17-29(32)30-18-8-11-21-33(30)38(35)37/h1-25H
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2-甲基-9,10-二(2-萘基)蒽CAS号: 804560-00-7分子式: C35H24 分子量: 444.58IUPAC Name: 2-methyl-9,10-dinaphthalen-2-ylanthraceneSMILES: CC1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C4=CC5=CC=CC=C5C=C4)C6=CC7=CC=CC=C7C=C6InChIKey: HNWFFTUWRIGBNM-UHFFFAOYSA-NInChI: 1S/C35H24/c1-23-14-19-32-33(20-23)35(29-18-16-25-9-3-5-11-27(25)22-29)31-13-7-6-12-30(31)34(32)28-17-15-24-8-2-4-10-26(24)21-28/h2-22H,1H3
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N,N'-二苯基-N,N'-双(对甲苯基)-1,4-苯二胺CAS号: 138171-14-9 Compound CID : 16218148分子式: C32H28N2 分子量: 440.59IUPAC Name: 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamineSMILES: CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)CInChIKey: FQNVFRPAQRVHKO-UHFFFAOYSA-NInChI: 1S/C32H28N2/c1-25-13-17-29(18-14-25)33(27-9-5-3-6-10-27)31-21-23-32(24-22-31)34(28-11-7-4-8-12-28)30-19-15-26(2)16-20-30/h3-24H,1-2H3
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1-苄基-3-甲基咪唑四氟硼酸盐CAS号: 500996-04-3 Compound CID : 12138923分子式: C11H13BF4N2 分子量: 260.04IUPAC Name: 1-benzyl-3-methylimidazol-3-ium;tetrafluoroborateSMILES: [B-](F)(F)(F)F.C[N+]1=CN(C=C1)CC2=CC=CC=C2InChIKey: QULDEUUWXMCUFO-UHFFFAOYSA-NInChI: 1S/C11H13N2.BF4/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;2-1(3,4)5/h2-8,10H,9H2,1H3;/q+1;-1
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1-甲基咪唑双(三氟甲磺酰基)亚胺CAS号: 353239-08-4分子式: C6H7F6N3O4S2 分子量: 363.25IUPAC Name: bis(trifluoromethylsulfonyl)azanide;3-methyl-1H-imidazol-3-iumSMILES: C[N+]1=CNC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)FInChIKey: SDTAXUVLXYGRNE-UHFFFAOYSA-OInChI: 1S/C4H6N2.C2F6NO4S2/c1-6-3-2-5-4-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-4H,1H3;/q;-1/p+1
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1,1'-双[3-(三甲基铵)丙基]二茂铁二氯化物CAS号: 2093414-16-3 Compound CID : 146680180分子式: C22H38Cl2FeN2 分子量: 457.31IUPAC Name: 3-cyclopenta-1,4-dien-1-ylpropyl(trimethyl)azanium;iron(2+);dichlorideSMILES: C[N+](C)(C)CCCC1=C[CH-]C=C1.C[N+](C)(C)CCCC1=C[CH-]C=C1.[Cl-].[Cl-].[Fe+2]InChIKey: FJOZKECBRJESSW-UHFFFAOYSA-LInChI: 1S/2C11H19N.2ClH.Fe/c2*1-12(2,3)10-6-9-11-7-4-5-8-11;;;/h2*4-5,7-8H,6,9-10H2,1-3H3;2*1H;/q;;;;+2/p-2
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