five

poly-(vinyl[2.2]paracyclophane-co-2-vinyl-DMAC-TRZ

收藏
DataCite Commons2025-04-22 更新2025-05-10 收录
下载链接:
https://www.chemotion-repository.net/inchikey/JIWMTSMBODORIT-UHFFFAOYSA-N.2
下载链接
链接失效反馈
官方服务:
资源简介:
This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367], while the molecule[CHEBI_25367] is only part of the composition and does not describe the chemical entity[CHEBI_24431] sufficiently. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3, and canonical SMILES descriptor[cheminf_000007]: N#CC(C(c1ccc2c(c1)C(C)(C)c1c(N2c2ccc(cc2)c2nc(nc(n2)c2ccccc2)c2ccccc2)cccc1)CC(c1cc2CCc3ccc(CCc1cc2)cc3)C)(C)C, 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-42809 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]: BFO:0000015 | process CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0001011 | gel filtration chromatography (GPC) 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

本数据集关联一个与分子(molecule)[CHEBI_25367]相关的物理化学实体(physical chemical entity)[CHEBI_24431],而该分子[CHEBI_25367]仅为其组成部分,无法充分表征该物理化学实体[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/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3, 标准SMILES描述符[cheminf_000007]:N#CC(C(c1ccc2c(c1)C(C)(C)c1c(N2c2ccc(cc2)c2nc(nc(n2)c2ccccc2)c2ccccc2)cccc1)CC(c1cc2CCc3ccc(CCc1cc2)cc3)C)(C)C, 同时可通过IUPAC名称[cheminf_000107]表征:(无内容)。 该物理化学实体[CHEBI_24431]包含一种组分溶剂[CHEBI_46787],其可通过标准SMILES描述符[cheminf_000007]表征:(无内容)。 该物理化学实体[CHEBI_24431]在研究数据仓储chemotion(网址:www.chemotion-repository.net,DOI:https://doi.org/10.25504/FAIRsharing.iagXcR)中登记的样本编号为:CRS-42809。 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]:(无数据) 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]还可通过以下分析检测方法[OBI:0000070][CHMO:0001133]表征: BFO:0000015 | 过程 CHMO:0000630 | 红外吸收光谱法(IR) CHMO:0001011 | 凝胶过滤色谱法(GPC) 该物理化学实体[CHEBI_24431]已被存入卡尔斯鲁厄理工学院(Karlsruhe Institute of Technology, KIT)的分子档案库,样本编号如下:(无完整内容)。 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(chemical information ontology) CHMO:化学方法本体(Chemical Methods Ontology) OBI:生物医学调查本体(Ontology for Biomedical Investigations)
提供机构:
chemotion-repository
创建时间:
2025-04-22
二维码
社区交流群
二维码
科研交流群
商业服务