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(+)-儿茶素水合物CAS号 : 225937-10-0 Compound CID : 107957分子式: C15H14O6·xH2O 分子量: 290.27IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.OInChIKey: OFUMQWOJBVNKLR-NQQJLSKUSA-NInChI: InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1
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双[(α,α,α',α'-四甲基-1,3-苯二丙酸)铑]CAS号 : 819050-89-0 Compound CID : 72750008分子式: C32H40O8Rh2 分子量: 758.48IUPAC Name: 3-[3-(2-carboxy-2-methylpropyl)phenyl]-2,2-dimethylpropanoic acid;rhodiumSMILES: CC(C)(CC1=CC(=CC=C1)CC(C)(C)C(=O)O)C(=O)O.CC(C)(CC1=CC(=CC=C1)CC(C)(C)C(=O)O)C(=O)O.[Rh].[Rh]InChIKey: OBMUTUNJWNQIAJ-UHFFFAOYSA-NInChI: InChI=1S/2C16H22O4.2Rh/c2*1-15(2,13(17)18)9-11-6-5-7-12(8-11)10-16(3,4)14(19)20;;/h2*5-8H,9-10H2,1-4H3,(H,17,18)(H,19,20);;
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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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(S)-3-[1-(4-甲氧基苯磺酰基)-(4S,5S)-4,5-二苯基-4,5-二氢-1H-咪唑-2-基]-1,1'-联萘-2,2'-二基磷酸氢盐CAS号 : 1621994-95-3 Compound CID : 102334043分子式: C42H31N2O7PS 分子量: 738.75IUPAC Name: 13-hydroxy-10-[(4S,5S)-1-(4-methoxyphenyl)sulfonyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxideSMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C(C(N=C2C3=CC4=CC=CC=C4C5=C3OP(=O)(OC6=C5C7=CC=CC=C7C=C6)O)C8=CC=CC=C8)C9=CC=CC=C9InChIKey: IOZGNSVHJJRNOD-ZAQUEYBZSA-NInChI: InChI=1S/C42H31N2O7PS/c1-49-31-21-23-32(24-22-31)53(47,48)44-40(29-15-6-3-7-16-29)39(28-13-4-2-5-14-28)43-42(44)35-26-30-17-9-11-19-34(30)38-37-33-18-10-8-12-27(33)20-25-36(37)50-52(45,46)51-41(35)38/h2-26,39-40H,1H3,(H,45,46)/t39-,40-/m0/s1