(rac)-N'-([2.2]paracyclophanyl-12-ylmethylene)-2-(trifluoromethyl)benzohydrazide

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/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+, and canonical SMILES descriptor[cheminf_000007]: FC(c1ccccc1S(=O)(=O)N/N=C/c1cc2CCc3ccc(CCc1cc2)cc3)(F)F, 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-49169

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

CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)

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

CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)

CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)

CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)

CHMO:0000599 | correlation spectroscopy (COSY)

CHMO:0000604 | heteronuclear single quantum coherence (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

本数据集关联了一个物理化学实体（physical chemical entity）[CHEBI_24431]与一个分子（molecule）[CHEBI_25367]。
该分子[CHEBI_25367]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/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+；标准SMILES描述符（canonical SMILES descriptor）[cheminf_000007]：FC(c1ccccc1S(=O)(=O)N/N=C/c1cc2CCc3ccc(CCc1cc2)cc3)(F)F；同时可通过IUPAC命名（IUPAC name）[cheminf_000107]进行标识，原文本未提供具体命名内容。
该物理化学实体[CHEBI_24431]包含组分溶剂（component solvent）[CHEBI_46787]，其可通过标准SMILES描述符[cheminf_000007]表征，原文本未提供具体内容。
该物理化学实体[CHEBI_24431]在科研数据仓库chemotion（网址：www.chemotion-repository.net，DOI：https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本编号为：CRS-49169。
该物理化学实体[CHEBI_24431]可通过以下物理描述符（physical descriptors）[CHEMINF_000025]表征：
熔点描述符（Melting point descriptor）[CHEMINF_000256]：无数据
沸点描述符（Boiling point descriptor）[CHEMINF_000257]：无数据
折射率描述符（Refractive index descriptor）[CHEMINF_000253]：无数据
该物理化学实体[CHEBI_24431]还可通过以下分析检测方法（assays）[OBI:0000070][CHMO:0001133]进行表征：
CHMO:0000630 | 红外吸收光谱法（infrared absorption spectroscopy，IR）
CHMO:0000595 | 碳-13核磁共振波谱法（¹³C nuclear magnetic resonance spectroscopy，¹³C NMR）
CHMO:0002337 | 电喷雾电离四极杆检测法（electrospray ionisation quadrupole detection，ESI Q Trap）
CHMO:0000593 | 氢-1核磁共振波谱法（¹H nuclear magnetic resonance spectroscopy，¹H NMR）
CHMO:0000596 | 无畸变极化转移增强技术（distortionless enhancement with polarization transfer，DEPT）
CHMO:0000596 | 无畸变极化转移增强技术（distortionless enhancement with polarization transfer，DEPT）
CHMO:0000597 | 氟-19核磁共振波谱法（¹⁹F nuclear magnetic resonance spectroscopy，¹⁹F NMR）
CHMO:0000604 | 相关光谱法（correlation spectroscopy，COSY）
CHMO:0000604 | 异核单量子相干谱（heteronuclear single quantum coherence，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，其样本编号为：原文本未提供具体编号。
所用本体包括：
CHEBI：生物感兴趣化学实体本体（Chemical Entities of Biological Interest）
CHEMINF：化学信息本体（chemical information ontology，即关于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）