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3-叠氮基-1-丙醇CAS号 : 72320-38-8 Compound CID : 10996974分子式: C3H7N3O 分子量: 101.11IUPAC Name: 3-azidopropan-1-olSMILES: C(CN=[N+]=[N-])COInChIKey: WHVSIWLMCCGHFW-UHFFFAOYSA-NInChI: InChI=1S/C3H7N3O/c4-6-5-2-1-3-7/h7H,1-3H2
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Boc-(R)-4-(2-丙炔基)-L-脯氨酸CAS号 : 959581-98-7 Compound CID : 2762091分子式: C13H19NO4 分子量: 253.29IUPAC Name: (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-ynylpyrrolidine-2-carboxylic acidSMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)CC#CInChIKey: DMBBSZBBZZUEMF-ZJUUUORDSA-NInChI: InChI=1S/C13H19NO4/c1-5-6-9-7-10(11(15)16)14(8-9)12(17)18-13(2,3)4/h1,9-10H,6-8H2,2-4H3,(H,15,16)/t9-,10+/m1/s1
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α-马来酰亚氨基丙酰-ω-琥珀酰亚胺-六聚乙二醇CAS号 : 1137109-21-7 Compound CID : 77078209分子式: C26H39N3O13 分子量: 601.6IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoateSMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=OInChIKey: AVCPTIUOZBWCKE-UHFFFAOYSA-NInChI: InChI=1S/C26H39N3O13/c30-21(5-8-28-22(31)1-2-23(28)32)27-7-10-37-12-14-39-16-18-41-20-19-40-17-15-38-13-11-36-9-6-26(35)42-29-24(33)3-4-25(29)34/h1-2H,3-20H2,(H,27,30)
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原黄素半硫酸盐分子式: C13H11N3.1/2H2O4S 分子量: 258.25IUPAC Name: acridine-3,6-diamine;sulfuric acidSMILES: C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.OS(=O)(=O)OInChIKey: YADYXCVYLIKQJX-UHFFFAOYSA-NInChI: InChI=1S/2C13H11N3.H2O4S/c2*14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4/h2*1-7H,14-15H2;(H2,1,2,3,4)
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钙黄绿素蓝CAS号 : 54375-47-2 Compound CID : 5393133分子式: C15H15NO7 分子量: 321.29IUPAC Name: 2-[carboxymethyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]amino]acetic acidSMILES: CC1=CC(=O)OC2=C1C=CC(=C2CN(CC(=O)O)CC(=O)O)OInChIKey: RJPSHDMGSVVHFA-UHFFFAOYSA-NInChI: InChI=1S/C15H15NO7/c1-8-4-14(22)23-15-9(8)2-3-11(17)10(15)5-16(6-12(18)19)7-13(20)21/h2-4,17H,5-7H2,1H3,(H,18,19)(H,20,21)
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丹磺酰甘氨酸分子式: C14H16N2O4S 分子量: 308.35IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acidSMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(=O)OInChIKey: QHFXORCWAQTTGH-UHFFFAOYSA-NInChI: InChI=1S/C14H16N2O4S/c1-16(2)12-7-3-6-11-10(12)5-4-8-13(11)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18)
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2-(Fmoc-氨基)乙基溴CAS号 : 340187-12-4 Compound CID : 2759174分子式: C17H16BrNO2 分子量: 346.2IUPAC Name: 9H-fluoren-9-ylmethyl N-(2-bromoethyl)carbamateSMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCBrInChIKey: GDIPNIOJNLDDRP-UHFFFAOYSA-NInChI: InChI=1S/C17H16BrNO2/c18-9-10-19-17(20)21-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,20)
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2-氯-6-(4-氟苯基)-3-氰基吡啶CAS号 : 31776-83-7 Compound CID : 2773734分子式: C12H6ClFN2 分子量: 232.64IUPAC Name: 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrileSMILES: C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)Cl)FInChIKey: VJYNNRPTVYPCCS-UHFFFAOYSA-NInChI: InChI=1S/C12H6ClFN2/c13-12-9(7-15)3-6-11(16-12)8-1-4-10(14)5-2-8/h1-6H
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4,4',4''-（苯基-1,3,5-三氧代）-苯甲酸CAS号 : 1071125-59-1 Compound CID : 91885097分子式: C27H18O9 分子量: 486.43IUPAC Name: 4-[3,5-bis(4-carboxyphenoxy)phenoxy]benzoic acidSMILES: C1=CC(=CC=C1C(=O)O)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)C(=O)O)OC4=CC=C(C=C4)C(=O)OInChIKey: PNPPEOGLIXXLAG-UHFFFAOYSA-NInChI: InChI=1S/C27H18O9/c28-25(29)16-1-7-19(8-2-16)34-22-13-23(35-20-9-3-17(4-10-20)26(30)31)15-24(14-22)36-21-11-5-18(6-12-21)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)
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