18355-50-5
6,6'-(P,P'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-ETHYLQUINOLINIUM) DITOSYLATE
Name6,6'-(P,P'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-ETHYLQUINOLINIUM) DITOSYLATE
pro_formulaC36 H32 N4 O2 . 2 C7 H7 O3 S
1Identification
【Name】
6,6'-(P,P'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-ETHYLQUINOLINIUM) DITOSYLATE
【CAS】
【MDL】
MFCD01685307
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C36 H32 N4 O2 . 2 C7 H7 O3 S
【pro_molWeight】
895.065
【Inchi】
InChI=1S/C36H30N4O2.2C7H8O3S/c1-3-39-21-5-7-29-23-31(17-19-33(29)39)37-35(41)27-13-9-25(10-14-27)26-11-15-28(16-12-26)36(42)38-32-18-20-34-30(24-32)8-6-22-40(34)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)
【InChIKey】
InChIKey=JENUUMUEYUTBEW-UHFFFAOYSA-N
【SMILES】
CC[n+]1cccc2c1ccc(c2)NC(=O)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5ccc6c(c5)ccc[n+]6CC.Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-]
【MOL File】
6,6'-(P,P'-BIPHENYLY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6,6'-(P,P'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-ETHYLQUINOLINIUM) DITOSYLATE.cml