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104090-17-7 | 4,4'-Bipyridinium, 1,1'-bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-, diiodide
CAS No: 104090-17-7 Catalog No: AG007ERK MDL No:
Product Description
Catalog Number:
AG007ERK
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-, diiodide
CAS Number:
104090-17-7
Molecular Formula:
C30H50I2N2O6
Molecular Weight:
788.5367
IUPAC Name:
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium;diiodide
InChI:
InChI=1S/C30H50N2O6.2HI/c1-3-5-17-33-21-25-37-27-23-35-19-15-31-11-7-29(8-12-31)30-9-13-32(14-10-30)16-20-36-24-28-38-26-22-34-18-6-4-2;;/h7-14H,3-6,15-28H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
TVZWBBIMPJBZGN-UHFFFAOYSA-L
SMILES:
CCCCOCCOCCOCC[n+]1ccc(cc1)c1cc[n+](cc1)CCOCCOCCOCCCC.[I-].[I-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
788.176g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
788.547g/mol
Monoisotopic Mass:
788.176g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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