小分子和化合物库
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海柯皂苷元分子式: C27H42O4 分子量: 430.63IUPAC Name: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-oneSMILES: CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1InChIKey: QOLRLLFJMZLYQJ-LOBDNJQFSA-NInChI: 1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
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植酸 二钾盐CAS号: 129832-03-7 Compound CID : 22838972分子式: C6H16O24P6K2 分子量: 736.22IUPAC Name: dipotassium;[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphateSMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)([O-])[O-])OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[K+].[K+]InChIKey: LFTTXUFEVNNTHA-OKBOCSEJSA-LInChI: See more
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6-溴苯并吡喃-2-酮CAS号: 20921-00-0分子式: C9H7BrO2 分子量: 227.05IUPAC Name: 6-bromo-3,4-dihydrochromen-2-oneSMILES: C1CC(=O)OC2=C1C=C(C=C2)BrInChIKey: FFZQWUVOIMYRKC-UHFFFAOYSA-NInChI: 1S/C9H7BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2
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42 22-二氟-2-(4-(三氟甲氧基)苯基)乙酸CAS号: 1112044-47-9分子式: C9H5F5O3 分子量: 256.13IUPAC Name: 2,2-difluoro-2-[4-(trifluoromethoxy)phenyl]acetic acidSMILES: C1=CC(=CC=C1C(C(=O)O)(F)F)OC(F)(F)FInChIKey: KHUVKUWYAVSZQD-UHFFFAOYSA-NInChI: 1S/C9H5F5O3/c10-8(11,7(15)16)5-1-3-6(4-2-5)17-9(12,13)14/h1-4H,(H,15,16)
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阻燃剂FRC-2CAS号: 20120-33-6分子式: C6H14NO5P 分子量: 211.16IUPAC Name: 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamideSMILES: COP(=O)(CCC(=O)NCO)OCInChIKey: MCONGYNHPPCHSD-UHFFFAOYSA-NInChI: 1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
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39 2-(4-氰基苯基)环丙烷-1-羧酸乙酯CAS号: 132145-60-9分子式: C13H13NO2 分子量: 215.25IUPAC Name: ethyl (1R,2R)-2-(4-cyanophenyl)cyclopropane-1-carboxylateSMILES: CCOC(=O)C1CC1C2=CC=C(C=C2)C#NInChIKey: QWCIETZJHLAWCB-NWDGAFQWSA-NInChI: 1S/C13H13NO2/c1-2-16-13(15)12-7-11(12)10-5-3-9(8-14)4-6-10/h3-6,11-12H,2,7H2,1H3/t11-,12+/m0/s1
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90 反式-2-(34-二氟苯基)环丙烷-1-羧酸CAS号: 1006614-50-1 Compound CID : 9834218分子式: C10H8F2O2 分子量: 198.17IUPAC Name: (1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylic acidSMILES: C1C(C1C(=O)O)C2=CC(=C(C=C2)F)FInChIKey: CSLVZAGSOJLXCT-NKWVEPMBSA-NInChI: 1S/C10H8F2O2/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7+/m0/s1
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