Dataset

high-performance liquid chromatography (HPLC)

dataset for high-performance liquid chromatography (HPLC)

Chemical Information

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=C1N2CN3C4N5CN6C2C2(N1CN1C7N(CN2C6=O)C(=O)N2C7N(C1=O)CN1C6N(C2)C(=O)N2C6N(C1=O)CN1C6N(C2)C(=O)N2C6N(C1=O)CN1C(=O)N6CN7C(=O)N8CN(C3=O)C4N(C5=O)CN3C8C7N(C3=O)CN3C6C1N(C3=O)C2)OCc1nnn(c1)CCOCCOCCOCCNc1ccc(c2c1non2)[N+](=O)[O-]
InChI Key ICDIQORYLKODSX-UHFFFAOYSA-N
Molecular Formula C59H63N35O21
Exact Mass 1598.353 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ICDIQORYLKODSX-UHFFFAOYSA-N/CHMO0001009
License URL
Source https://www.chemotion-repository.net/inchikey/ICDIQORYLKODSX-UHFFFAOYSA-N/CHMO0001009
Version
Author Changming Hu
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-28
Related Molecule
  • 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
    • Field Value
    Measurement Technique high-performance liquid chromatography
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197225 PubChem
    The data in this table is sourced from UniChem at EBI.