C28H30Ag2N12O6
收藏DataCite Commons2024-07-04 更新2025-04-09 收录
下载链接:
https://www.chemotion-repository.net/inchikey/RICKCZNFXYTJOG-UHFFFAOYSA-N.1
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].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/2C14H15N5.2Ag.2NO3/c2*1-2-3-6-11-10-19(18-17-11)14-9-15-12-7-4-5-8-13(12)16-14;;;2*2-1(3)4/h2*4-5,7-10H,2-3,6H2,1H3;;;;/q;;2*+1;2*-1, and canonical SMILES descriptor[cheminf_000007]: [O-][N+](=O)[O-].[O-][N+](=O)[O-].CCCCc1nnn(c1)c1cnc2c(n1)cccc2.CCCCc1nnn(c1)c1cnc2c(n1)cccc2.[Ag+].[Ag+], 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-28108
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:0001075 | elemental analysis (EA)
CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
CHMO:0000470 | mass spectrometry (MS)
CHMO:0000630 | infrared absorption spectroscopy (IR)
CHMO:0000159 | single crystal X-ray diffraction (single-crystal X-ray diffraction)
CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
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
提供机构:
chemotion-repository
创建时间:
2024-07-04



