C28H52F6N8O6S2Zn

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/2C13H26N4.2CHF3O3S.Zn/c2*1-15(2)12-8-6-5-7-11(12)14-13-16(3)9-10-17(13)4;2*2-1(3,4)8(5,6)7;/h2*11-12H,5-10H2,1-4H3;2*(H,5,6,7);/q;;;;+2/p-2/t2*11-,12-;;;/m11.../s1, and canonical SMILES descriptor[cheminf_000007]: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.CN([C@@H]1CCCC[C@H]1N=C1N(C)CCN1C)C.CN([C@@H]1CCCC[C@H]1N=C1N(C)CCN1C)C.[Zn+2], 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-52681

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:0001075 | elemental analysis (EA)

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

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

CHMO:0000470 | mass spectrometry (MS)

BFO:0000015 | process

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