propane-2,2-diylbis(4,1-phenylene) bis(4-azido-2,3,5,6-tetrafluorobenzoate)

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/C29H14F8N6O4/c1-29(2,11-3-7-13(8-4-11)46-27(44)15-17(30)21(34)25(40-42-38)22(35)18(15)31)12-5-9-14(10-6-12)47-28(45)16-19(32)23(36)26(41-43-39)24(37)20(16)33/h3-10H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: O=C(c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])(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-33555 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 156.0 (°C) 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:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000480 | electron ionisation mass spectrometry (EI-MS) CHMO:0000630 | infrared absorption spectroscopy (IR) 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