tetraethyl 4,4',4'',4'''-(pyrene-1,3,6,8-tetrayl)tetrakis(3-nitrobenzoate)

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/C52H38N4O16/c1-5-69-49(57)27-9-13-31(43(21-27)53(61)62)39-25-40(32-14-10-28(50(58)70-6-2)22-44(32)54(63)64)36-19-20-38-42(34-16-12-30(52(60)72-8-4)24-46(34)56(67)68)26-41(37-18-17-35(39)47(36)48(37)38)33-15-11-29(51(59)71-7-3)23-45(33)55(65)66/h9-26H,5-8H2,1-4H3, and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])c1cc(c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1[N+](=O)[O-])C(=O)OCC)c1ccc(cc1[N+](=O)[O-])C(=O)OCC)c1ccc(cc1[N+](=O)[O-])C(=O)OCC, 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-37615

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:0000470 | mass spectrometry (MS)

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

CHMO:0000630 | infrared absorption spectroscopy (IR)

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