1-[4-[2-oxo-2-[4-(2-oxo-2-phenyl-acetyl)phenyl]acetyl]phenyl]-2-phenyl-ethane-1,2-dione

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/C30H18O6/c31-25(19-7-3-1-4-8-19)27(33)21-11-15-23(16-12-21)29(35)30(36)24-17-13-22(14-18-24)28(34)26(32)20-9-5-2-6-10-20/h1-18H, and canonical SMILES descriptor[cheminf_000007]: O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccc(cc1)C(=O)C(=O)c1ccccc1, and by the IUPAC name[cheminf_000107]: 1-[4-[2-oxo-2-[4-(2-oxo-2-phenylacetyl)phenyl]acetyl]phenyl]-2-phenylethane-1,2-dione.

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-54731

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 119.8 (°C)
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:0000470 | mass spectrometry (MS)

CHMO:0000630 | infrared absorption spectroscopy (IR)

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)

CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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]进行表征：
InChI描述符[cheminf_000113]：InChI=1S/C30H18O6/c31-25(19-7-3-1-4-8-19)27(33)21-11-15-23(16-12-21)29(35)30(36)24-17-13-22(14-18-24)28(34)26(32)20-9-5-2-6-10-20/h1-18H；
标准SMILES描述符[cheminf_000007]：O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccc(cc1)C(=O)C(=O)c1ccccc1；
以及IUPAC名称[cheminf_000107]：1-[4-[2-氧代-2-[4-(2-氧代-2-苯基乙酰基)苯基]乙酰基]苯基]-2-苯基乙烷-1,2-二酮。

该物理化学实体[CHEBI_24431]包含组分溶剂[CHEBI_46787]，其可通过标准SMILES描述符[cheminf_000007]表征：

该物理化学实体[CHEBI_24431]在研究数据仓储chemotion（网址：www.chemotion-repository.net，DOI：10.25504/FAIRsharing.iagXcR）中的注册样本ID为：CRS-54731。

该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]表征：
熔点描述符[CHEMINF_000256]：119.8 ℃
沸点描述符[CHEMINF_000257]：无数据
折射率描述符[CHEMINF_000253]：无数据

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:0000470 | 质谱法（MS）
CHMO:0000630 | 红外吸收光谱法（IR）
CHMO:0000593 | 氢核磁共振波谱法（¹H NMR）
CHMO:0000595 | 碳核磁共振波谱法（¹³C NMR）
CHMO:0000292 | 紫外-可见分光光度法（UV-VIS）
CHMO:0001146 | 氢-碳异核单量子相干谱（¹H-¹³C HSQC）

该物理化学实体[CHEBI_24431]已被存入卡尔斯鲁厄理工学院（KIT）分子档案库，其样本ID为：

所用本体如下：
CHEBI：生物感兴趣化学实体（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
OBI：生物调查本体