five

[Cu(TMG2cHexqu)2]PF6

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DataCite Commons2024-10-10 更新2025-04-09 收录
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https://www.chemotion-repository.net/inchikey/GCLZBRQZKMRROK-UHFFFAOYSA-N.2
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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/2C20H28N4.Cu.F6P/c2*1-23(2)20(24(3)4)22-18-12-8-11-16-13-14-17(21-19(16)18)15-9-6-5-7-10-15;;1-7(2,3,4,5)6/h2*8,11-15H,5-7,9-10H2,1-4H3;;/q;;+1;-1, and canonical SMILES descriptor[cheminf_000007]: F[P-](F)(F)(F)(F)F.CN(C(=Nc1cccc2c1nc(cc2)C1CCCCC1)N(C)C)C.CN(C(=Nc1cccc2c1nc(cc2)C1CCCCC1)N(C)C)C.[Cu+], and by the IUPAC name[cheminf_000107]: copper(1+);2-(2-cyclohexylquinolin-8-yl)-1,1,3,3-tetramethylguanidine;hexafluorophosphate. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: CC(O)=O 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-35179 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:0000025 | cyclic voltammetry (CV) 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
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chemotion-repository
创建时间:
2024-10-10
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