C97H108S12Si8

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/C97H108S12Si8/c1-110(2,3)85-49-41-73(98-85)69-57-81(106-93(69)77-45-53-89(102-77)114(13,14)15)61-25-33-65(34-26-61)97(66-35-27-62(28-36-66)82-58-70(74-42-50-86(99-74)111(4,5)6)94(107-82)78-46-54-90(103-78)115(16,17)18,67-37-29-63(30-38-67)83-59-71(75-43-51-87(100-75)112(7,8)9)95(108-83)79-47-55-91(104-79)116(19,20)21)68-39-31-64(32-40-68)84-60-72(76-44-52-88(101-76)113(10,11)12)96(109-84)80-48-56-92(105-80)117(22,23)24/h25-60H,1-24H3, and canonical SMILES descriptor[cheminf_000007]: C[Si](c1ccc(s1)c1sc(cc1c1ccc(s1)[Si](C)(C)C)c1ccc(cc1)C(c1ccc(cc1)c1sc(c(c1)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)(c1ccc(cc1)c1sc(c(c1)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)c1ccc(cc1)c1sc(c(c1)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)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-51239

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

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

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

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

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

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

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