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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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(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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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
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β-谷甾醇 β-D-葡萄糖苷分子式: C35H60O6 分子量: 576.85IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)CInChIKey: NPJICTMALKLTFW-OFUAXYCQSA-NInChI: InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
