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1-叠氮基-2-(2-(2-乙氧基乙氧基)乙氧基)乙烷CAS号 : 215181-72-9 Compound CID : 15848698分子式: C8H17N3O3 分子量: 203.24IUPAC Name: 1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethaneSMILES: CCOCCOCCOCCN=[N+]=[N-]InChIKey: QCKRVSYHRAABCY-UHFFFAOYSA-NInChI: InChI=1S/C8H17N3O3/c1-2-12-5-6-14-8-7-13-4-3-10-11-9/h2-8H2,1H3
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8-苯胺基-1-萘磺酸镁(II)盐水合物CAS号 : 18108-68-4 Compound CID : 87458分子式: C32H24MgN2O6S2.xH2O 分子量: 620.98IUPAC Name: magnesium;8-anilinonaphthalene-1-sulfonateSMILES: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-].[Mg+2]InChIKey: IRKGXNAZPUOEMW-UHFFFAOYSA-LInChI: InChI=1S/2C16H13NO3S.Mg/c2*18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h2*1-11,17H,(H,18,19,20);/q;;+2/p-2
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(S)-3-氨基-5-己炔酸 盐酸盐CAS号 : 332064-85-4 Compound CID : 2761700分子式: C6H9NO2· HCl 分子量: 163.6IUPAC Name: (3S)-3-aminohex-5-ynoic acid;hydrochlorideSMILES: C#CCC(CC(=O)O)N.ClInChIKey: FVKOZZHCHSRKJA-JEDNCBNOSA-NInChI: InChI=1S/C6H9NO2.ClH/c1-2-3-5(7)4-6(8)9;/h1,5H,3-4,7H2,(H,8,9);1H/t5-;/m0./s1
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雷尼替丁-d6，盐酸盐CAS号 : 1185238-09-8 Compound CID : 45040340分子式: C13H17D6ClN4O3S 分子量: 356.9IUPAC Name: (E)-1-N'-[2-[[5-[[bis(trideuteriomethyl)amino]methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochlorideSMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.ClInChIKey: GGWBHVILAJZWKJ-DICWLCDHSA-NInChI: InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;/i2D3,3D3;
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腔肠素CAS号 : 55779-48-1 Compound CID : 135445694分子式: C26H21N3O3 分子量: 423.46IUPAC Name: 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-olSMILES: C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)OInChIKey: LNCOEGVEEQDKGX-UHFFFAOYSA-NInChI: InChI=1S/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,30-32H,14-15H2
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苄氧基乙醛二甲基乙缩醛CAS号 : 127657-97-0 Compound CID : 7021458分子式: C11H16O3 分子量: 196.24IUPAC Name: 2,2-dimethoxyethoxymethylbenzeneSMILES: COC(COCC1=CC=CC=C1)OCInChIKey: QITBBLPNYKECAZ-UHFFFAOYSA-NInChI: InChI=1S/C11H16O3/c1-12-11(13-2)9-14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
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m-PEG36-叠氮化物CAS号 : 89485-61-0 Compound CID : 51340959分子式: N3CH2CH2(OCH2CH2)nOCH3IUPAC Name: 1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethaneSMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]InChIKey: FXVJBKLBTILMNA-UHFFFAOYSA-NInChI: InChI=1S/C25H51N3O12/c1-29-4-5-31-8-9-33-12-13-35-16-17-37-20-21-39-24-25-40-23-22-38-19-18-36-15-14-34-11-10-32-7-6-30-3-2-27-28-26/h2-25H2,1H3
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顺-2-碳甲氧基环己烷-1-甲酸CAS号 : 111955-05-6分子式: C9H14O4 分子量: 186.2IUPAC Name: (1R,2S)-2-methoxycarbonylcyclohexane-1-carboxylic acidSMILES: COC(=O)C1CCCCC1C(=O)OInChIKey: BOVPVRGRPPYECC-RQJHMYQMSA-NInChI: InChI=1S/C9H14O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
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5-溴-6-氯-1H-吲哚CAS号 : 122531-09-3 Compound CID : 14419619分子式: C8H5BrClN 分子量: 230.49IUPAC Name: 5-bromo-6-chloro-1H-indoleSMILES: C1=CNC2=CC(=C(C=C21)Br)ClInChIKey: SMZUROGBNBCCPT-UHFFFAOYSA-NInChI: InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
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2-氯-5-硝基苯硼酸CAS号 : 867333-29-7 Compound CID : 24901770分子式: C6H5BClNO4 分子量: 201.37IUPAC Name: (2-chloro-5-nitrophenyl)boronic acidSMILES: B(C1=C(C=CC(=C1)[N+](=O)[O-])Cl)(O)OInChIKey: KNFHCUNPMBSLRK-UHFFFAOYSA-NInChI: InChI=1S/C6H5BClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H
