C51H49Cu8N16O16

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/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 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-35828 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:0000156 | X-ray diffraction (XRD) 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

这是一个与分子[CHEBI_25367]相关联的物理化学实体[CHEBI_24431]。该分子[CHEBI_25367]可通过以下结构描述符[cheminf_000085]进行描述：InChI描述符[cheminf_000113]：InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, 规范SMILES描述符[cheminf_000007]：C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 以及IUPAC名称[cheminf_000107]：。该物理化学实体[CHEBI_24431]含有组分溶剂[CHEBI_46787]，其通过规范SMILES描述符[cheminf_000007]描述：该物理化学实体[CHEBI_24431]在研究数据仓库chemotion（www.chemotion-repository.net，https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本ID为：CRS-35828。该物理化学实体[CHEBI_24431]可通过物理描述符[CHEMINF_000025]描述：熔点描述符[CHEMINF_000256]：沸点描述符[CHEMINF_000257]：折射率描述符[CHEMINF_000253]：。该物理化学实体[CHEBI_24431]可通过以下实验分析[OBI:0000070][CHMO:0001133]进一步描述：CHMO:0000156 | X射线衍射（XRD）。该物理化学实体[CHEBI_24431]已存入卡尔斯鲁厄理工学院（KIT）的分子档案库，样本ID为：所用本体：CHEBI - 生物相关化学实体；CHEMINF - 化学信息本体（关于化学实体的信息实体）；CHMO - 化学方法本体；OBI - 生物医学研究本体。