five

C28H30Cl4N10Pd2

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DataCite Commons2024-07-04 更新2025-04-09 收录
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https://www.chemotion-repository.net/inchikey/GQJLHAYEUVUOSM-UHFFFAOYSA-J
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This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/2C14H15N5.4ClH.2Pd/c2*1-2-3-6-11-10-19(18-17-11)14-9-15-12-7-4-5-8-13(12)16-14;;;;;;/h2*4-5,7-10H,2-3,6H2,1H3;4*1H;;/q;;;;;;2*+2/p-4, and canonical SMILES descriptor[cheminf_000007]: CCCCc1nnn(c1)c1cnc2c(n1)cccc2.CCCCc1nnn(c1)c1cnc2c(n1)cccc2.Cl[Pd]Cl.Cl[Pd]Cl, and by the IUPAC name[cheminf_000107]: . The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-38624 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) CHMO:0001075 | elemental analysis (EA) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
提供机构:
chemotion-repository
创建时间:
2024-07-04
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