C73H36Br8S12

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/C73H36Br8S12/c74-61-25-17-49(82-61)45-33-57(90-69(45)53-21-29-65(78)86-53)37-1-9-41(10-2-37)73(42-11-3-38(4-12-42)58-34-46(50-18-26-62(75)83-50)70(91-58)54-22-30-66(79)87-54,43-13-5-39(6-14-43)59-35-47(51-19-27-63(76)84-51)71(92-59)55-23-31-67(80)88-55)44-15-7-40(8-16-44)60-36-48(52-20-28-64(77)85-52)72(93-60)56-24-32-68(81)89-56/h1-36H, and canonical SMILES descriptor[cheminf_000007]: Brc1ccc(s1)c1sc(cc1c1ccc(s1)Br)c1ccc(cc1)C(c1ccc(cc1)c1cc(c(s1)c1ccc(s1)Br)c1ccc(s1)Br)(c1ccc(cc1)c1cc(c(s1)c1ccc(s1)Br)c1ccc(s1)Br)c1ccc(cc1)c1cc(c(s1)c1ccc(s1)Br)c1ccc(s1)Br, 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-51264

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

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

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)

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