C34H30CoF12N6O2P2

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/2C17H15N3O.Co.2F6P/c2*1-2-21-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;;2*1-7(2,3,4,5)6/h2*3-12H,2H2,1H3;;;/q;;+2;2*-1, and canonical SMILES descriptor[cheminf_000007]: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CCOc1cc(nc(c1)c1ccccn1)c1ccccn1.CCOc1cc(nc(c1)c1ccccn1)c1ccccn1.[Co+2], 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-48894

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:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)

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

本数据集对应一种与分子（molecule[CHEBI_25367]）相关联的物理化学实体（physical chemical entity[CHEBI_24431]）。
该分子可通过以下结构描述符（structural descriptors[cheminf_000085]）进行表征：
InChI描述符（InChI descriptor[cheminf_000113]）：InChI=1S/2C17H15N3O.Co.2F6P/c2*1-2-21-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;;2*1-7(2,3,4,5)6/h2*3-12H,2H2,1H3;;;/q;;+2;2*-1；
标准SMILES描述符（canonical SMILES descriptor[cheminf_000007]）：F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CCOc1cc(nc(c1)c1ccccn1)c1ccccn1.CCOc1cc(nc(c1)c1ccccn1)c1ccccn1.[Co+2]；
IUPAC命名（IUPAC name[cheminf_000107]）：未填写。
该物理化学实体包含溶剂组分（component solvent[CHEBI_46787]），其表征采用标准SMILES描述符（canonical SMILES descriptor[cheminf_000007]）：
该物理化学实体在研究数据仓储chemotion（www.chemotion-repository.net，https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本编号为：CRS-48894。
该物理化学实体可通过以下物理描述符（physical descriptors[CHEMINF_000025]）进行表征：
熔点描述符（Melting point descriptor[CHEMINF_000256]）：无相关数据；
沸点描述符（Boiling point descriptor[CHEMINF_000257]）：无相关数据；
折射率描述符（Refractive index descriptor[CHEMINF_000253]）：无相关数据。
该物理化学实体还可通过以下检测试验（assays）进行表征，关联本体为实验本体（OBI:0000070）与化学方法本体（CHMO:0001133）：
CHMO:0000592 | 一维核磁共振波谱法（1D NMR）
CHMO:0001075 | 元素分析（EA）
该物理化学实体已被存入卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology, KIT）的分子档案库，对应样本编号为：
所用本体包括：
CHEBI：生物兴趣化学实体（Chemical Entities of Biological Interest）
CHEMINF：化学信息本体（针对化学实体的信息实体）
CHMO：化学方法本体（Chemical Methods Ontology）
OBI：生物调查本体（Ontology for Biomedical Investigations）