小分子和化合物库
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拉氧头孢 钠盐CAS号: 64953-12-4 EC号: 265-288-4分子式: C20H18N6Na2O9S 分子量: 564.44IUPAC Name: disodium;(6R,7R)-7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+]InChIKey: GRIXGZQULWMCLU-HUTAOCTPSA-LInChI: See more
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头孢噻呋钠CAS号: 104010-37-9 Compound CID : 23671563分子式: C19H16N5O7S3.Na 分子量: 545.6IUPAC Name: sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSMILES: CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]InChIKey: RFLHUYUQCKHUKS-JUODUXDSSA-MInChI: 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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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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4-(2-邻苯二甲酰亚胺基乙氧基)乙酰乙酸乙酯CAS号: 88150-75-8分子式: C16H17NO6 分子量: 319.31IUPAC Name: ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoateSMILES: CCOC(=O)CC(=O)COCCN1C(=O)C2=CC=CC=C2C1=OInChIKey: RIGKLAOKQFKWNN-UHFFFAOYSA-NInChI: 1S/C16H17NO6/c1-2-23-14(19)9-11(18)10-22-8-7-17-15(20)12-5-3-4-6-13(12)16(17)21/h3-6H,2,7-10H2,1H3
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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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紫外线吸收剂UV400CAS号: 153519-44-9 Compound CID : 136125637分子式: C81H108N6O8 分子量: 647IUPAC Name: 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2-hydroxy-3-tridecoxypropoxy)phenolSMILES: CCCCCCCCCCCCCOCC(COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O)O.CCCCCCCCCCCCOCC(COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O)OInChIKey: NKMFBISUUNTJTA-UHFFFAOYSA-NInChI: See more
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