C30H16Cu6O22

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/3C9H6O6.2C2H4O2.6Cu/c3*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;2*1-2(3)4;;;;;;/h3*1-3H,(H,10,11)(H,12,13)(H,14,15);2*1H3,(H,3,4);;;;;;/q;;;;;;5*+1/p-7, and canonical SMILES descriptor[cheminf_000007]: [O-]C(=O)C.[O-]C(=O)C.[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)C(=O)O[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O, 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-39507

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)

CHMO:0000225 | spectroscopic ellipsometry (SE)

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

本实体为与某分子[CHEBI_25367]相关联的物理化学实体（physical chemical entity）[CHEBI_24431]。该分子[CHEBI_25367]可通过以下结构描述符[cheminf_000085]进行表征：其中InChI描述符（InChI descriptor）[cheminf_000113]为：InChI=1S/3C9H6O6.2C2H4O2.6Cu/c3*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;2*1-2(3)4;;;;;;/h3*1-3H,(H,10,11)(H,12,13)(H,14,15);2*1H3,(H,3,4);;;;;;/q;;;;;;5*+1/p-7；规范SMILES描述符（canonical SMILES descriptor）[cheminf_000007]为：[O-]C(=O)C.[O-]C(=O)C.[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O；IUPAC名称（IUPAC name）[cheminf_000107]无记录。
该物理化学实体[CHEBI_24431]包含溶剂组分（component solvent）[CHEBI_46787]，其规范SMILES描述符[cheminf_000007]无额外记录。
该物理化学实体[CHEBI_24431]已在研究数据仓库chemotion（网址：www.chemotion-repository.net，DOI：10.25504/FAIRsharing.iagXcR）中完成注册，其样本编号为：CRS-39507。
该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]进行表征：熔点描述符（melting point descriptor）[CHEMINF_000256]：无记录；沸点描述符（boiling point descriptor）[CHEMINF_000257]：无记录；折射率描述符（refractive index descriptor）[CHEMINF_000253]：无记录。
该物理化学实体[CHEBI_24431]还可通过以下检测方法[OBI:0000070][CHMO:0001133]进行表征：
CHMO:0000156 | X射线衍射（X-ray diffraction, XRD）
CHMO:0000225 | 光谱椭偏术（spectroscopic ellipsometry, SE）
该物理化学实体[CHEBI_24431]已存入卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology, KIT）的分子档案库，对应样本编号无额外记录。
所用本体规范如下：
CHEBI：生物感兴趣化学实体（Chemical Entities of Biological Interest）
CHEMINF：化学信息本体（chemical information ontology，指与化学实体相关的信息实体）
CHMO：化学方法本体（Chemical Methods Ontology）
OBI：生物医学调查本体（Ontology for Biomedical Investigations）