C64H80N4O4S5Si2

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/C64H80N4O4S5Si2/c1-5-9-13-17-21-25-33-78(34-26-22-18-14-10-6-2)51-39-49(57-55-53(69-29-31-71-55)47(73-57)37-45(41-65)42-66)75-59(51)61-63(78)64-62(77-61)60-52(79(64,35-27-23-19-15-11-7-3)36-28-24-20-16-12-8-4)40-50(76-60)58-56-54(70-30-32-72-56)48(74-58)38-46(43-67)44-68/h37-40H,5-36H2,1-4H3, and canonical SMILES descriptor[cheminf_000007]: CCCCCCCC[Si]1(CCCCCCCC)c2cc(sc2-c2c1c1c(-c3c([Si]1(CCCCCCCC)CCCCCCCC)cc(s3)c1sc(c3c1OCCO3)C=C(C#N)C#N)s2)c1sc(c2c1OCCO2)C=C(C#N)C#N, 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]:

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-51231

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

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

CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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

CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)

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