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(-)-1,4-双-O-(4-氯苄基)-L-苏糖醇CAS号 : 85362-85-2 Compound CID : 13372208分子式: C18H20Cl2O4 分子量: 371.26IUPAC Name: (2S,3S)-1,4-bis[(4-chlorophenyl)methoxy]butane-2,3-diolSMILES: C1=CC(=CC=C1COCC(C(COCC2=CC=C(C=C2)Cl)O)O)ClInChIKey: MBGYQXOSGYFFSY-ROUUACIJSA-NInChI: InChI=1S/C18H20Cl2O4/c19-15-5-1-13(2-6-15)9-23-11-17(21)18(22)12-24-10-14-3-7-16(20)8-4-14/h1-8,17-18,21-22H,9-12H2/t17-,18-/m0/s1
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(2R,3S)-(+)-3-(苄氧基甲基)环氧乙烷-2-甲醇4-硝基苯甲酸酯CAS号 : 78469-86-0 Compound CID : 16211265分子式: C18H17NO6 分子量: 343.34IUPAC Name: [(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-nitrobenzoateSMILES: C1=CC=C(C=C1)COCC2C(O2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]InChIKey: XBAOYRZETQXAAE-DLBZAZTESA-NInChI: InChI=1S/C18H17NO6/c20-18(14-6-8-15(9-7-14)19(21)22)24-12-17-16(25-17)11-23-10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17+/m0/s1
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(4R,5R)-2,2-二甲基-α,α,α',α'-四(2-萘基)二氧戊环-4,5-二甲醇CAS号 : 137365-09-4 Compound CID : 10919449分子式: C47H38O4 分子量: 666.8IUPAC Name: [(4R,5R)-5-[hydroxy(dinaphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-dinaphthalen-2-ylmethanolSMILES: CC1(OC(C(O1)C(C2=CC3=CC=CC=C3C=C2)(C4=CC5=CC=CC=C5C=C4)O)C(C6=CC7=CC=CC=C7C=C6)(C8=CC9=CC=CC=C9C=C8)O)CInChIKey: QWADMRIAKWGVBF-NDOUMJCMSA-NInChI: InChI=1S/C47H38O4/c1-45(2)50-43(46(48,39-23-19-31-11-3-7-15-35(31)27-39)40-24-20-32-12-4-8-16-36(32)28-40)44(51-45)47(49,41-25-21-33-13-5-9-17-37(33)29-41)42-26-22-34-14-6-10-18-38(34)30-42/h3-30,43-44,48-49H,1-2H3/t43-,44-/m1/s1
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(R)-2-叔丁基-6-甲基-1,3-二恶英-4-酮CAS号 : 107289-20-3 Compound CID : 13617605分子式: C9H14O3 分子量: 170.21IUPAC Name: (2R)-2-tert-butyl-6-methyl-1,3-dioxin-4-oneSMILES: CC1=CC(=O)OC(O1)C(C)(C)CInChIKey: HWPXDBBVCANLFT-MRVPVSSYSA-NInChI: InChI=1S/C9H14O3/c1-6-5-7(10)12-8(11-6)9(2,3)4/h5,8H,1-4H3/t8-/m1/s1
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(S)-(-)-5,5'-双(二苯基膦)-4,4'-二-1,3-苯并二噁茂CAS号 : 210169-54-3 Compound CID : 11017510分子式: C38H28O4P2 分子量: 610.57IUPAC Name: [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphaneSMILES: C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8InChIKey: RZZDRSHFIVOQAF-UHFFFAOYSA-NInChI: InChI=1S/C38H28O4P2/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25-26H2
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5,5'-双(二苯基磷酰)-4,4'-二-1,3-联苯CAS号 : 244261-66-3 Compound CID : 11017510分子式: C38H28O4P2 分子量: 610.59IUPAC Name: [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphaneSMILES: C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8InChIKey: RZZDRSHFIVOQAF-UHFFFAOYSA-NInChI: InChI=1S/C38H28O4P2/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25-26H2
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(R)-3,3'-双[3,5-双(三氟甲基)苯基] -5,5',6,6',7,7',8,8'-八氢-1,1'-联萘基-2,2'-二基磷酸氢酯CAS号 : 1011465-24-9 Compound CID : 23110722分子式: C36H25F12O4P 分子量: 780.5IUPAC Name: 10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxideSMILES: C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)FInChIKey: INSXQFYWKHPSHX-UHFFFAOYSA-NInChI: InChI=1S/C36H25F12O4P/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)52-53(49,50)51-31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16H,1-8H2,(H,49,50)
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N-[(1S,2S)-2-[双(苯基甲基)氨基]环己基]-N''-[3,5-双(三氟甲基)苯基]硫脲CAS号 : 1233369-39-5 Compound CID : 127256036分子式: C29H29F6N3S 分子量: 565.6IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dibenzylamino)cyclohexyl]thioureaSMILES: C1CCC(C(C1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N(CC3=CC=CC=C3)CC4=CC=CC=C4InChIKey: SJJKVSGWNLVFSL-UIOOFZCWSA-NInChI: InChI=1S/C29H29F6N3S/c30-28(31,32)22-15-23(29(33,34)35)17-24(16-22)36-27(39)37-25-13-7-8-14-26(25)38(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21/h1-6,9-12,15-17,25-26H,7-8,13-14,18-19H2,(H2,36,37,39)/t25-,26-/m0/s1
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N-[(1R,2R)-2-氨基环己基]-N'-[(8α,9S)-6'-甲氧基奎宁-9-基]硫脲CAS号 : 1052184-48-1 Compound CID : 25208639分子式: C27H37N5OS 分子量: 479.7IUPAC Name: 1-[(1R,2R)-2-aminocyclohexyl]-3-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thioureaSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)NC(=S)NC5CCCCC5NInChIKey: NFEJIKCPWWZIFG-VCACTVQNSA-NInChI: InChI=1S/C27H37N5OS/c1-3-17-16-32-13-11-18(17)14-25(32)26(31-27(34)30-24-7-5-4-6-22(24)28)20-10-12-29-23-9-8-19(33-2)15-21(20)23/h3,8-10,12,15,17-18,22,24-26H,1,4-7,11,13-14,16,28H2,2H3,(H2,30,31,34)/t17-,18-,22+,24+,25-,26-/m0/s1
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3-[[3,5-双(三氟甲基)苯基]氨基]-4-[[((2S)-2-吡咯烷基甲基]氨基]-3-环丁烯-1,2-二酮CAS号 : 1356935-80-2 Compound CID : 57337789分子式: C17H15F6N3O2 分子量: 407.3IUPAC Name: 3-[3,5-bis(trifluoromethyl)anilino]-4-[[(2S)-pyrrolidin-2-yl]methylamino]cyclobut-3-ene-1,2-dioneSMILES: C1CC(NC1)CNC2=C(C(=O)C2=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FInChIKey: UGWHNGHXJQANLX-JTQLQIEISA-NInChI: InChI=1S/C17H15F6N3O2/c18-16(19,20)8-4-9(17(21,22)23)6-11(5-8)26-13-12(14(27)15(13)28)25-7-10-2-1-3-24-10/h4-6,10,24-26H,1-3,7H2/t10-/m0/s1
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三(2-(4,6-二氟苯基)吡啶)铱(III)CAS号 : 387859-70-3 Compound CID : 11491171分子式: C₃₃H₁₈F₆IrN₃ 分子量: 762.72SMILES: C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.[Ir+3]