Dataset

high-performance liquid chromatography (HPLC) (1-[[1-[2-[2-[2-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3,5,8,10,13,15,18,20,23,25,28,30,33,35,36,38,40,42,46,48,50,52,54,56,58,60,62,64-octacosazadocosacyclo[30.3.3.36,7.311,12.316,17.321,22.326,27.22,36.231,38.13,35.15,8.110,13.115,18.120,23.125,28.130,33.140,46.142,64.148,50.152,54.156,58.160,62]heptacontane-39,41,43,44,45,47,49,51,53,55,57,59,61,63-tetradecone)

dataset for high-performance liquid chromatography (HPLC)

Chemical Info

molecular Image
InChI InChI=1S/C59H63N35O21/c95-45-66-13-68-34-35-72(47(68)97)17-76-38-39-80(51(76)101)21-84-42-43-88(55(84)105)25-92-57(107)90-23-86-41-40-82(53(86)103)19-78-37-36-74(49(78)99)15-70(45)33-32(66)67-14-69(34)48(98)73(35)18-77(38)52(102)81(39)22-85(42)56(106)89(43)26-93-58(108)91(24-87(41)54(104)83(40)20-79(37)50(100)75(36)16-71(33)46(67)96)44(90)59(92,93)114-12-27-11-65(64-61-27)4-6-112-8-10-113-9-7-111-5-3-60-28-1-2-29(94(109)110)31-30(28)62-115-63-31/h1-2,11,32-44,60H,3-10,12-26H2
SMILES O=C1N2CN3C(=O)N4CN5C(=O)N6CN7C(=O)N8CN9C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN1C1C2N2CN%15C(=O)N(CN%16C(=O)N(CN%17C(=O)N(CN%18C(=O)N(CN%19C(=O)N(CN%20C(=O)N(CN1C2=O)C%14C%13%20)C%12C%11%19)C%10C9%18OCc1cn(CCOCCOCCOCCNc2ccc([N+](=O)[O-])c9nonc29)nn1)C8C7%17)C6C5%16)C4C3%15
InChI Key ICDIQORYLKODSX-UHFFFAOYSA-N
Molecular Formula C59H63N35O21
Exact Mass 1598.377 g/mol

Data and Resources

Related Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
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Author Hu, Changming
Maintainer chemotion.net
Language en
MetadataCreated 2022-10-06T14:08:56.483828
MetadataModified 2022-10-06T14:08:56.483833
MetadataPublished
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